CID 165984659

En300-37375752

Structural Information

Molecular Formula
C4H3ClF3N3O2S
SMILES
C1=NN(N=C1S(=O)(=O)Cl)CC(F)(F)F
InChI
InChI=1S/C4H3ClF3N3O2S/c5-14(12,13)3-1-9-11(10-3)2-4(6,7)8/h1H,2H2
InChIKey
MVDDZYRVEDUXLQ-UHFFFAOYSA-N
Compound name
2-(2,2,2-trifluoroethyl)triazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.95866 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.96594 141.7
[M+Na]+ 271.94788 154.1
[M-H]- 247.95138 138.8
[M+NH4]+ 266.99248 158.3
[M+K]+ 287.92182 150.2
[M+H-H2O]+ 231.95592 133.5
[M+HCOO]- 293.95686 149.4
[M+CH3COO]- 307.97251 184.1
[M+Na-2H]- 269.93333 145.2
[M]+ 248.95811 143.0
[M]- 248.95921 143.0
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.