CID 105476859

1781039-56-2

Structural Information

Molecular Formula
C6H11ClF2O2S
SMILES
CC(C)CC(CS(=O)(=O)Cl)(F)F
InChI
InChI=1S/C6H11ClF2O2S/c1-5(2)3-6(8,9)4-12(7,10)11/h5H,3-4H2,1-2H3
InChIKey
SKJUFEFXYIERQF-UHFFFAOYSA-N
Compound name
2,2-difluoro-4-methylpentane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.01364 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.020916 138.3
[M+Na]+ 243.002858 147.0
[M-H]- 219.006364 136.6
[M+NH4]+ 238.047463 158.1
[M+K]+ 258.976798 143.8
[M+H-H2O]+ 203.010900 133.5
[M+HCOO]- 265.011841 146.9
[M+CH3COO]- 279.027491 184.1
[M+Na-2H]- 240.988306 140.9
[M]+ 220.01309142 140.8
[M]- 220.01418858 140.8
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.