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]+ 232.97823 143.4
[M+Na]+ 254.96017 156.9
[M-H]- 230.96367 144.4
[M+NH4]+ 250.00477 162.1
[M+K]+ 270.93411 150.6
[M+H-H2O]+ 214.96821 139.2
[M+HCOO]- 276.96915 155.0
[M+CH3COO]- 290.98480 176.9
[M+Na-2H]- 252.94562 149.0
[M]+ 231.97040 147.5
[M]- 231.97150 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.