CID 137821
4-phenoxybenzonitrile
Structural Information
- Molecular Formula
- C13H9NO
- SMILES
- C1=CC=C(C=C1)OC2=CC=C(C=C2)C#N
- InChI
- InChI=1S/C13H9NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H
- InChIKey
- UYHCIOZMFCLUDP-UHFFFAOYSA-N
- Compound name
- 4-phenoxybenzonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 196.07570 | 144.8 |
[M+Na]+ | 218.05764 | 155.4 |
[M-H]- | 194.06114 | 150.4 |
[M+NH4]+ | 213.10224 | 162.0 |
[M+K]+ | 234.03158 | 150.0 |
[M+H-H2O]+ | 178.06568 | 131.4 |
[M+HCOO]- | 240.06662 | 165.9 |
[M+CH3COO]- | 254.08227 | 156.9 |
[M+Na-2H]- | 216.04309 | 151.7 |
[M]+ | 195.06787 | 140.1 |
[M]- | 195.06897 | 140.1 |