CID 8794
Phenylacetonitrile
Structural Information
- Molecular Formula
- C8H7N
- SMILES
- C1=CC=C(C=C1)CC#N
- InChI
- InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2
- InChIKey
- SUSQOBVLVYHIEX-UHFFFAOYSA-N
- Compound name
- 2-phenylacetonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 118.06512 | 125.3 |
[M+Na]+ | 140.04706 | 138.5 |
[M+NH4]+ | 135.09167 | 131.7 |
[M+K]+ | 156.02100 | 128.1 |
[M-H]- | 116.05057 | 121.1 |
[M+Na-2H]- | 138.03251 | 131.3 |
[M]+ | 117.05730 | 125.3 |
[M]- | 117.05839 | 125.3 |