| SpectraBase Spectrum ID |
DiydognwJfn |
| Name |
Clomiphene |
| CAS Registry Number |
911-45-5 |
| Collision Energy |
40 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
405.185942225 u |
| Formula |
C26H28ClNO |
| InChI |
InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25- |
| InChIKey |
GKIRPKYJQBWNGO-QPLCGJKRSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
405.969 g/mol |
| Nominal Mass |
405 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
406.193 |
| SMILES |
C1(\C(=C\(Cl)C2=CC=CC=C2)C2=CC=CC=C2)=CC=C(OCCN(CC)CC)C=C1 |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_228.7 |
