CID 11907
2-hydroxybenzonitrile
Structural Information
- Molecular Formula
- C7H5NO
- SMILES
- C1=CC=C(C(=C1)C#N)O
- InChI
- InChI=1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H
- InChIKey
- CHZCERSEMVWNHL-UHFFFAOYSA-N
- Compound name
- 2-hydroxybenzonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 120.04440 | 122.9 |
[M+Na]+ | 142.02634 | 133.8 |
[M-H]- | 118.02984 | 125.6 |
[M+NH4]+ | 137.07094 | 142.7 |
[M+K]+ | 158.00028 | 130.8 |
[M+H-H2O]+ | 102.03438 | 111.7 |
[M+HCOO]- | 164.03532 | 143.3 |
[M+CH3COO]- | 178.05097 | 180.7 |
[M+Na-2H]- | 140.01179 | 130.4 |
[M]+ | 119.03657 | 117.1 |
[M]- | 119.03767 | 117.1 |