CID 28648

17617-60-6

Structural Information

Molecular Formula
C15H10ClFN2O2
SMILES
C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O)F
InChI
InChI=1S/C15H10ClFN2O2/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
FERBACJQVQVCKH-UHFFFAOYSA-N
Compound name
7-chloro-5-(2-fluorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

12
Patents

304.04147 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.04875 162.8
[M+Na]+ 327.03069 173.6
[M-H]- 303.03419 165.7
[M+NH4]+ 322.07529 175.6
[M+K]+ 343.00463 171.1
[M+H-H2O]+ 287.03873 154.4
[M+HCOO]- 349.03967 174.6
[M+CH3COO]- 363.05532 173.4
[M+Na-2H]- 325.01614 166.9
[M]+ 304.04092 159.4
[M]- 304.04202 159.4
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