CID 19593954

2-phenyl-1h-1,3-benzodiazole-5-sulfonyl chloride hydrochloride

Structural Information

Molecular Formula
C13H9ClN2O2S
SMILES
C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)Cl
InChI
InChI=1S/C13H9ClN2O2S/c14-19(17,18)10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9/h1-8H,(H,15,16)
InChIKey
VQRYFZAADGPXBH-UHFFFAOYSA-N
Compound name
2-phenyl-3H-benzimidazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

292.00732 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.01460 162.3
[M+Na]+ 314.99654 175.2
[M-H]- 291.00004 167.5
[M+NH4]+ 310.04114 179.0
[M+K]+ 330.97048 168.0
[M+H-H2O]+ 275.00458 156.1
[M+HCOO]- 337.00552 174.6
[M+CH3COO]- 351.02117 174.9
[M+Na-2H]- 312.98199 167.6
[M]+ 292.00677 167.4
[M]- 292.00787 167.4
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

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