CID 5472116
Nsc716333
Structural Information
- Molecular Formula
- C16H11ClN2O
- SMILES
- C1=CC=C2C(=C1)NC(=N2)C(=O)/C=C/C3=CC=C(C=C3)Cl
- InChI
- InChI=1S/C16H11ClN2O/c17-12-8-5-11(6-9-12)7-10-15(20)16-18-13-3-1-2-4-14(13)19-16/h1-10H,(H,18,19)/b10-7+
- InChIKey
- VLOYJJMQBUMMMP-JXMROGBWSA-N
- Compound name
- (E)-1-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)prop-2-en-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 283.06328 | 163.0 |
[M+Na]+ | 305.04522 | 173.6 |
[M-H]- | 281.04872 | 166.9 |
[M+NH4]+ | 300.08982 | 179.0 |
[M+K]+ | 321.01916 | 165.4 |
[M+H-H2O]+ | 265.05326 | 154.9 |
[M+HCOO]- | 327.05420 | 179.4 |
[M+CH3COO]- | 341.06985 | 174.7 |
[M+Na-2H]- | 303.03067 | 167.5 |
[M]+ | 282.05545 | 165.1 |
[M]- | 282.05655 | 165.1 |