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]+ 246.99387 147.8
[M+Na]+ 268.97581 161.7
[M-H]- 244.97931 149.1
[M+NH4]+ 264.02041 166.3
[M+K]+ 284.94975 155.2
[M+H-H2O]+ 228.98385 143.8
[M+HCOO]- 290.98479 159.0
[M+CH3COO]- 305.00044 181.1
[M+Na-2H]- 266.96126 152.3
[M]+ 245.98604 152.7
[M]- 245.98714 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.