CID 58561748

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

Structural Information

Molecular Formula
C3H4ClN3O2S
SMILES
CN1C=C(N=N1)S(=O)(=O)Cl
InChI
InChI=1S/C3H4ClN3O2S/c1-7-2-3(5-6-7)10(4,8)9/h2H,1H3
InChIKey
HGSOQZHRNVVEDM-UHFFFAOYSA-N
Compound name
1-methyltriazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

180.97127 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.97855 131.6
[M+Na]+ 203.96049 144.2
[M-H]- 179.96399 132.7
[M+NH4]+ 199.00509 151.1
[M+K]+ 219.93443 141.4
[M+H-H2O]+ 163.96853 126.0
[M+HCOO]- 225.96947 144.3
[M+CH3COO]- 239.98512 173.2
[M+Na-2H]- 201.94594 136.0
[M]+ 180.97072 136.5
[M]- 180.97182 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