CID 93892
58743-77-4
Structural Information
- Molecular Formula
- C14H11NO
- SMILES
- COC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
- InChI
- InChI=1S/C14H11NO/c1-16-14-8-6-13(7-9-14)12-4-2-11(10-15)3-5-12/h2-9H,1H3
- InChIKey
- RINYLKSNGRLNCU-UHFFFAOYSA-N
- Compound name
- 4-(4-methoxyphenyl)benzonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 210.09134 | 148.6 |
[M+Na]+ | 232.07328 | 159.6 |
[M-H]- | 208.07678 | 154.4 |
[M+NH4]+ | 227.11788 | 165.5 |
[M+K]+ | 248.04722 | 154.1 |
[M+H-H2O]+ | 192.08132 | 135.2 |
[M+HCOO]- | 254.08226 | 169.4 |
[M+CH3COO]- | 268.09791 | 199.1 |
[M+Na-2H]- | 230.05873 | 154.4 |
[M]+ | 209.08351 | 144.5 |
[M]- | 209.08461 | 144.5 |