CID 50998649

1023816-32-1

Structural Information

Molecular Formula
C8H7ClN2O3S
SMILES
CC1=CC2=C(C=C1S(=O)(=O)Cl)NC(=O)N2
InChI
InChI=1S/C8H7ClN2O3S/c1-4-2-5-6(11-8(12)10-5)3-7(4)15(9,13)14/h2-3H,1H3,(H2,10,11,12)
InChIKey
UUBTWOONDOQAOZ-UHFFFAOYSA-N
Compound name
6-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.98659 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.993866 147.8
[M+Na]+ 268.975808 161.7
[M-H]- 244.979314 149.1
[M+NH4]+ 264.020413 166.3
[M+K]+ 284.949748 155.2
[M+H-H2O]+ 228.983850 143.8
[M+HCOO]- 290.984791 159.0
[M+CH3COO]- 305.000441 181.1
[M+Na-2H]- 266.961256 152.3
[M]+ 245.98604142 152.7
[M]- 245.98713858 152.7
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.