CID 3958
Lorazepam
Structural Information
- Molecular Formula
- C15H10Cl2N2O2
- SMILES
- C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O)Cl
- InChI
- InChI=1S/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)
- InChIKey
- DIWRORZWFLOCLC-UHFFFAOYSA-N
- Compound name
- 7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 321.01921 | 166.3 |
[M+Na]+ | 343.00115 | 177.9 |
[M-H]- | 319.00465 | 169.5 |
[M+NH4]+ | 338.04575 | 179.1 |
[M+K]+ | 358.97509 | 175.0 |
[M+H-H2O]+ | 303.00919 | 158.6 |
[M+HCOO]- | 365.01013 | 174.4 |
[M+CH3COO]- | 379.02578 | 176.7 |
[M+Na-2H]- | 340.98660 | 170.2 |
[M]+ | 320.01138 | 164.9 |
[M]- | 320.01248 | 164.9 |