CID 3159944

2-oxo-2,3-dihydro-1h-1,3-benzodiazole-5-sulfonyl chloride

Structural Information

Molecular Formula
C7H5ClN2O3S
SMILES
C1=CC2=C(C=C1S(=O)(=O)Cl)NC(=O)N2
InChI
InChI=1S/C7H5ClN2O3S/c8-14(12,13)4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11)
InChIKey
OFWLWHNQAUHHGZ-UHFFFAOYSA-N
Compound name
2-oxo-1,3-dihydrobenzimidazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

231.97095 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.978226 143.4
[M+Na]+ 254.960168 156.9
[M-H]- 230.963674 144.4
[M+NH4]+ 250.004773 162.1
[M+K]+ 270.934108 150.6
[M+H-H2O]+ 214.968210 139.2
[M+HCOO]- 276.969151 155.0
[M+CH3COO]- 290.984801 176.9
[M+Na-2H]- 252.945616 149.0
[M]+ 231.97040142 147.5
[M]- 231.97149858 147.5
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