CID 4540

2886-65-9

Structural Information

Molecular Formula
C15H10ClFN2O
SMILES
C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F
InChI
InChI=1S/C15H10ClFN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)
InChIKey
UVCOILFBWYKHHB-UHFFFAOYSA-N
Compound name
7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

34
References

268
Patents

288.04657 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.05385 158.6
[M+Na]+ 311.03579 172.6
[M+NH4]+ 306.08039 165.9
[M+K]+ 327.00973 165.8
[M-H]- 287.03929 160.9
[M+Na-2H]- 309.02124 166.4
[M]+ 288.04602 161.6
[M]- 288.04712 161.6
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