CID 204965
17125-21-2
Structural Information
- Molecular Formula
- C15H16BrN
- SMILES
- C1=CC=C(C=C1)CNCC(C2=CC=CC=C2)Br
- InChI
- InChI=1S/C15H16BrN/c16-15(14-9-5-2-6-10-14)12-17-11-13-7-3-1-4-8-13/h1-10,15,17H,11-12H2
- InChIKey
- RQLCFGXVDHZBGR-UHFFFAOYSA-N
- Compound name
- N-benzyl-2-bromo-2-phenylethanamine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 290.05388 | 160.5 |
[M+Na]+ | 312.03582 | 168.4 |
[M-H]- | 288.03932 | 168.7 |
[M+NH4]+ | 307.08042 | 178.9 |
[M+K]+ | 328.00976 | 156.2 |
[M+H-H2O]+ | 272.04386 | 158.9 |
[M+HCOO]- | 334.04480 | 181.9 |
[M+CH3COO]- | 348.06045 | 200.0 |
[M+Na-2H]- | 310.02127 | 167.8 |
[M]+ | 289.04605 | 177.2 |
[M]- | 289.04715 | 177.2 |
Literature stripe
No literature data available for this compound.