CID 5203164
Methyl n-(4-bromophenyl)carbamate
Structural Information
- Molecular Formula
- C8H8BrNO2
- SMILES
- COC(=O)NC1=CC=C(C=C1)Br
- InChI
- InChI=1S/C8H8BrNO2/c1-12-8(11)10-7-4-2-6(9)3-5-7/h2-5H,1H3,(H,10,11)
- InChIKey
- GLRFFVNPNGTCSW-UHFFFAOYSA-N
- Compound name
- methyl N-(4-bromophenyl)carbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 229.98113 | 139.1 |
[M+Na]+ | 251.96307 | 141.7 |
[M+NH4]+ | 247.00767 | 143.6 |
[M+K]+ | 267.93701 | 142.2 |
[M-H]- | 227.96657 | 139.7 |
[M+Na-2H]- | 249.94852 | 142.8 |
[M]+ | 228.97330 | 138.3 |
[M]- | 228.97440 | 138.3 |