CID 103098261

2-(1h-1,2,3,4-tetrazol-1-yl)ethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C3H5ClN4O2S
SMILES
C1=NN=NN1CCS(=O)(=O)Cl
InChI
InChI=1S/C3H5ClN4O2S/c4-11(9,10)2-1-8-3-5-6-7-8/h3H,1-2H2
InChIKey
ZQGCOASDPPIOQJ-UHFFFAOYSA-N
Compound name
2-(tetrazol-1-yl)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.98218 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.98946 135.7
[M+Na]+ 218.97140 147.4
[M-H]- 194.97490 135.0
[M+NH4]+ 214.01600 152.9
[M+K]+ 234.94534 144.6
[M+H-H2O]+ 178.97944 128.9
[M+HCOO]- 240.98038 147.0
[M+CH3COO]- 254.99603 175.1
[M+Na-2H]- 216.95685 140.5
[M]+ 195.98163 140.5
[M]- 195.98273 140.5
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

No patent data available for this compound.