CID 84661777

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

Structural Information

Molecular Formula
C5H10ClFO2S
SMILES
CC(C)(CF)CS(=O)(=O)Cl
InChI
InChI=1S/C5H10ClFO2S/c1-5(2,3-7)4-10(6,8)9/h3-4H2,1-2H3
InChIKey
ZSXTXNRJONAKLB-UHFFFAOYSA-N
Compound name
3-fluoro-2,2-dimethylpropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.0074 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.01468 133.0
[M+Na]+ 210.99662 142.4
[M-H]- 187.00012 132.8
[M+NH4]+ 206.04122 154.2
[M+K]+ 226.97056 139.4
[M+H-H2O]+ 171.00466 129.3
[M+HCOO]- 233.00560 143.9
[M+CH3COO]- 247.02125 177.6
[M+Na-2H]- 208.98207 137.6
[M]+ 188.00685 136.8
[M]- 188.00795 136.8
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.