CID 81427175

3-(1h-1,2,3-triazol-1-yl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H6ClN3O2S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)Cl)N2C=CN=N2
InChI
InChI=1S/C8H6ClN3O2S/c9-15(13,14)8-3-1-2-7(6-8)12-5-4-10-11-12/h1-6H
InChIKey
IEJFTXPDHBCJNL-UHFFFAOYSA-N
Compound name
3-(triazol-1-yl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.98692 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.99420 149.1
[M+Na]+ 265.97614 163.0
[M+NH4]+ 261.02074 156.5
[M+K]+ 281.95008 156.9
[M-H]- 241.97964 150.1
[M+Na-2H]- 263.96159 156.6
[M]+ 242.98637 152.1
[M]- 242.98747 152.1
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.