CID 4250935
(isocyanatomethylene)dibenzene
Structural Information
- Molecular Formula
- C14H11NO
- SMILES
- C1=CC=C(C=C1)C(C2=CC=CC=C2)N=C=O
- InChI
- InChI=1S/C14H11NO/c16-11-15-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H
- InChIKey
- BWLKKFSDKDJGDZ-UHFFFAOYSA-N
- Compound name
- [isocyanato(phenyl)methyl]benzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 210.09134 | 145.1 |
[M+Na]+ | 232.07328 | 151.6 |
[M-H]- | 208.07678 | 152.9 |
[M+NH4]+ | 227.11788 | 163.6 |
[M+K]+ | 248.04722 | 148.3 |
[M+H-H2O]+ | 192.08132 | 137.3 |
[M+HCOO]- | 254.08226 | 171.6 |
[M+CH3COO]- | 268.09791 | 190.0 |
[M+Na-2H]- | 230.05873 | 152.8 |
[M]+ | 209.08351 | 144.6 |
[M]- | 209.08461 | 144.6 |