CID 82010144

3-(2,2-difluoroethoxy)propane-1-sulfonyl chloride

Structural Information

Molecular Formula
C5H9ClF2O3S
SMILES
C(COCC(F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C5H9ClF2O3S/c6-12(9,10)3-1-2-11-4-5(7)8/h5H,1-4H2
InChIKey
WMUFVWRPLSNSND-UHFFFAOYSA-N
Compound name
3-(2,2-difluoroethoxy)propane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.9929 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.00018 136.7
[M+Na]+ 244.98212 145.3
[M-H]- 220.98562 134.8
[M+NH4]+ 240.02672 156.3
[M+K]+ 260.95606 142.4
[M+H-H2O]+ 204.99016 131.4
[M+HCOO]- 266.99110 147.4
[M+CH3COO]- 281.00675 182.7
[M+Na-2H]- 242.96757 139.1
[M]+ 221.99235 140.8
[M]- 221.99345 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.