CID 475633

258850-08-7

Structural Information

Molecular Formula
C9H9ClN2O
SMILES
C1C2=C(C=CC(=C2)Cl)NC(=O)CN1
InChI
InChI=1S/C9H9ClN2O/c10-7-1-2-8-6(3-7)4-11-5-9(13)12-8/h1-3,11H,4-5H2,(H,12,13)
InChIKey
GPRMHDRJRXITMD-UHFFFAOYSA-N
Compound name
7-chloro-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

41
Patents

196.04034 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04762 136.2
[M+Na]+ 219.02956 144.4
[M-H]- 195.03306 136.4
[M+NH4]+ 214.07416 152.7
[M+K]+ 235.00350 143.0
[M+H-H2O]+ 179.03760 129.8
[M+HCOO]- 241.03854 148.0
[M+CH3COO]- 255.05419 147.5
[M+Na-2H]- 217.01501 142.7
[M]+ 196.03979 130.0
[M]- 196.04089 130.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.