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

48
Patents

210.0196 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.02688 139.6
[M+Na]+ 233.00882 151.3
[M-H]- 209.01232 139.7
[M+NH4]+ 228.05342 158.4
[M+K]+ 248.98276 145.1
[M+H-H2O]+ 193.01686 133.9
[M+HCOO]- 255.01780 155.8
[M+CH3COO]- 269.03345 178.2
[M+Na-2H]- 230.99427 145.3
[M]+ 210.01905 141.3
[M]- 210.02015 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