CID 132327831

4,4-difluoropentane-1-sulfonyl chloride

Structural Information

Molecular Formula
C5H9ClF2O2S
SMILES
CC(CCCS(=O)(=O)Cl)(F)F
InChI
InChI=1S/C5H9ClF2O2S/c1-5(7,8)3-2-4-11(6,9)10/h2-4H2,1H3
InChIKey
ISWDVGINKAGECP-UHFFFAOYSA-N
Compound name
4,4-difluoropentane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.99799 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.00527 134.7
[M+Na]+ 228.98721 144.1
[M-H]- 204.99071 133.1
[M+NH4]+ 224.03181 155.2
[M+K]+ 244.96115 140.7
[M+H-H2O]+ 188.99525 130.0
[M+HCOO]- 250.99619 144.7
[M+CH3COO]- 265.01184 180.3
[M+Na-2H]- 226.97266 138.8
[M]+ 205.99744 137.4
[M]- 205.99854 137.4
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.