CID 84722343

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

Structural Information

Molecular Formula
C5H9ClF2O2S
SMILES
CC(CC(F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C5H9ClF2O2S/c1-4(2-5(7)8)3-11(6,9)10/h4-5H,2-3H2,1H3
InChIKey
JRZSMGCNAWRVAQ-UHFFFAOYSA-N
Compound name
4,4-difluoro-2-methylbutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.99799 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.005266 133.1
[M+Na]+ 228.987208 141.6
[M-H]- 204.990714 131.4
[M+NH4]+ 224.031813 153.4
[M+K]+ 244.961148 138.7
[M+H-H2O]+ 188.995250 128.2
[M+HCOO]- 250.996191 142.5
[M+CH3COO]- 265.011841 181.5
[M+Na-2H]- 226.972656 134.3
[M]+ 205.99744142 135.2
[M]- 205.99853858 135.2
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.