CID 131418977

5-methoxy-1h-1,3-benzodiazole-4-sulfonyl chloride hydrochloride

Structural Information

Molecular Formula
C8H7ClN2O3S
SMILES
COC1=C(C2=C(C=C1)NC=N2)S(=O)(=O)Cl
InChI
InChI=1S/C8H7ClN2O3S/c1-14-6-3-2-5-7(11-4-10-5)8(6)15(9,12)13/h2-4H,1H3,(H,10,11)
InChIKey
QNRGBEHYHGHGRE-UHFFFAOYSA-N
Compound name
5-methoxy-1H-benzimidazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.98659 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.99387 147.8
[M+Na]+ 268.97581 161.0
[M-H]- 244.97931 150.0
[M+NH4]+ 264.02041 166.7
[M+K]+ 284.94975 156.0
[M+H-H2O]+ 228.98385 143.0
[M+HCOO]- 290.98479 160.4
[M+CH3COO]- 305.00044 183.1
[M+Na-2H]- 266.96126 153.4
[M]+ 245.98604 154.8
[M]- 245.98714 154.8
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.