CID 84725559

4,4,4-trifluoro-2-methylbutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C5H8ClF3O2S
SMILES
CC(CC(F)(F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C5H8ClF3O2S/c1-4(2-5(7,8)9)3-12(6,10)11/h4H,2-3H2,1H3
InChIKey
URFSKSBXIQVYBA-UHFFFAOYSA-N
Compound name
4,4,4-trifluoro-2-methylbutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.98856 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.99584 135.6
[M+Na]+ 246.97778 144.8
[M-H]- 222.98128 132.8
[M+NH4]+ 242.02238 155.3
[M+K]+ 262.95172 141.5
[M+H-H2O]+ 206.98582 130.1
[M+HCOO]- 268.98676 143.6
[M+CH3COO]- 283.00241 183.2
[M+Na-2H]- 244.96323 138.3
[M]+ 223.98801 136.5
[M]- 223.98911 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

No patent data available for this compound.