CID 12489839
3-bromobenzene-1,2-diamine
Structural Information
- Molecular Formula
- C6H7BrN2
- SMILES
- C1=CC(=C(C(=C1)Br)N)N
- InChI
- InChI=1S/C6H7BrN2/c7-4-2-1-3-5(8)6(4)9/h1-3H,8-9H2
- InChIKey
- VWYTZNPMXYCBPK-UHFFFAOYSA-N
- Compound name
- 3-bromobenzene-1,2-diamine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 186.98654 | 130.5 |
[M+Na]+ | 208.96848 | 133.3 |
[M+NH4]+ | 204.01308 | 136.0 |
[M+K]+ | 224.94242 | 133.6 |
[M-H]- | 184.97198 | 132.5 |
[M+Na-2H]- | 206.95393 | 134.6 |
[M]+ | 185.97871 | 130.2 |
[M]- | 185.97981 | 130.2 |