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]+ 221.02092 137.7
[M+Na]+ 243.00286 145.8
[M-H]- 219.00636 135.8
[M+NH4]+ 238.04746 157.4
[M+K]+ 258.97680 142.7
[M+H-H2O]+ 203.01090 132.6
[M+HCOO]- 265.01184 146.9
[M+CH3COO]- 279.02749 184.5
[M+Na-2H]- 240.98831 138.4
[M]+ 220.01309 140.2
[M]- 220.01419 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.