CID 2402659

5-(2-chloroacetyl)-2,3-dihydro-1h-1,3-benzodiazol-2-one

Structural Information

Molecular Formula
C9H7ClN2O2
SMILES
C1=CC2=C(C=C1C(=O)CCl)NC(=O)N2
InChI
InChI=1S/C9H7ClN2O2/c10-4-8(13)5-1-2-6-7(3-5)12-9(14)11-6/h1-3H,4H2,(H2,11,12,14)
InChIKey
XVJCMNPIXOVPIA-UHFFFAOYSA-N
Compound name
5-(2-chloroacetyl)-1,3-dihydrobenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

210.0196 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.026876 139.6
[M+Na]+ 233.008818 151.3
[M-H]- 209.012324 139.7
[M+NH4]+ 228.053423 158.4
[M+K]+ 248.982758 145.1
[M+H-H2O]+ 193.016860 133.9
[M+HCOO]- 255.017801 155.8
[M+CH3COO]- 269.033451 178.2
[M+Na-2H]- 230.994266 145.3
[M]+ 210.01905142 141.3
[M]- 210.02014858 141.3
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

patents stripe