CID 137698809

2-ethyl-4,4-difluorobutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H11ClF2O2S
SMILES
CCC(CC(F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C6H11ClF2O2S/c1-2-5(3-6(8)9)4-12(7,10)11/h5-6H,2-4H2,1H3
InChIKey
JLIRHVSKZNPEMY-UHFFFAOYSA-N
Compound name
2-ethyl-4,4-difluorobutane-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 137.7
[M+Na]+ 243.002858 145.8
[M-H]- 219.006364 135.8
[M+NH4]+ 238.047463 157.4
[M+K]+ 258.976798 142.7
[M+H-H2O]+ 203.010900 132.6
[M+HCOO]- 265.011841 146.9
[M+CH3COO]- 279.027491 184.5
[M+Na-2H]- 240.988306 138.4
[M]+ 220.01309142 140.2
[M]- 220.01418858 140.2
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.