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]+ 221.02092 138.3
[M+Na]+ 243.00286 147.0
[M-H]- 219.00636 136.6
[M+NH4]+ 238.04746 158.1
[M+K]+ 258.97680 143.8
[M+H-H2O]+ 203.01090 133.5
[M+HCOO]- 265.01184 146.9
[M+CH3COO]- 279.02749 184.1
[M+Na-2H]- 240.98831 140.9
[M]+ 220.01309 140.8
[M]- 220.01419 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.