CID 81937

7435-12-3

Structural Information

Molecular Formula
C15H10ClFN2O2
SMILES
C1C(=O)N=C2C=CC(=CC2=C(N1O)C3=CC=CC=C3F)Cl
InChI
InChI=1S/C15H10ClFN2O2/c16-9-5-6-13-11(7-9)15(19(21)8-14(20)18-13)10-3-1-2-4-12(10)17/h1-7,21H,8H2
InChIKey
KIMQENVBUZRJIC-UHFFFAOYSA-N
Compound name
7-chloro-5-(2-fluorophenyl)-4-hydroxy-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

304.04147 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.04875 161.6
[M+Na]+ 327.03069 173.8
[M-H]- 303.03419 166.2
[M+NH4]+ 322.07529 175.2
[M+K]+ 343.00463 171.9
[M+H-H2O]+ 287.03873 153.1
[M+HCOO]- 349.03967 176.2
[M+CH3COO]- 363.05532 173.4
[M+Na-2H]- 325.01614 167.1
[M]+ 304.04092 161.3
[M]- 304.04202 161.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe