CID 112756279

1-phenyl-1h-1,2,3-triazole-5-sulfonyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.98692 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.994196 148.4
[M+Na]+ 265.976138 160.5
[M-H]- 241.979644 152.4
[M+NH4]+ 261.020743 165.1
[M+K]+ 281.950078 155.8
[M+H-H2O]+ 225.984180 141.3
[M+HCOO]- 287.985121 161.1
[M+CH3COO]- 302.000771 183.7
[M+Na-2H]- 263.961586 152.8
[M]+ 242.98637142 152.9
[M]- 242.98746858 152.9
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.