CID 84732414

2-methyl-2h-1,2,3-triazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C3H4ClN3O2S
SMILES
CN1N=CC(=N1)S(=O)(=O)Cl
InChI
InChI=1S/C3H4ClN3O2S/c1-7-5-2-3(6-7)10(4,8)9/h2H,1H3
InChIKey
UMBLUOCAGHLXNI-UHFFFAOYSA-N
Compound name
2-methyltriazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

180.97127 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.978546 131.6
[M+Na]+ 203.960488 144.2
[M-H]- 179.963994 132.7
[M+NH4]+ 199.005093 151.1
[M+K]+ 219.934428 141.4
[M+H-H2O]+ 163.968530 126.0
[M+HCOO]- 225.969471 144.3
[M+CH3COO]- 239.985121 173.2
[M+Na-2H]- 201.945936 136.0
[M]+ 180.97072142 136.5
[M]- 180.97181858 136.5
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

patents stripe