CID 84674725

3,3-difluoro-2,2-dimethylpropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C5H9ClF2O2S
SMILES
CC(C)(CS(=O)(=O)Cl)C(F)F
InChI
InChI=1S/C5H9ClF2O2S/c1-5(2,4(7)8)3-11(6,9)10/h4H,3H2,1-2H3
InChIKey
XZWPNUGBFGDLOG-UHFFFAOYSA-N
Compound name
3,3-difluoro-2,2-dimethylpropane-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 133.6
[M+Na]+ 228.987208 142.8
[M-H]- 204.990714 132.2
[M+NH4]+ 224.031813 154.0
[M+K]+ 244.961148 139.9
[M+H-H2O]+ 188.995250 129.1
[M+HCOO]- 250.996191 142.6
[M+CH3COO]- 265.011841 181.1
[M+Na-2H]- 226.972656 136.8
[M]+ 205.99744142 135.8
[M]- 205.99853858 135.8
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.