CID 155820531

5,5-difluorohexane-1-sulfonylchloride

Structural Information

Molecular Formula
C6H11ClF2O2S
SMILES
CC(CCCCS(=O)(=O)Cl)(F)F
InChI
InChI=1S/C6H11ClF2O2S/c1-6(8,9)4-2-3-5-12(7,10)11/h2-5H2,1H3
InChIKey
MKWQKCYLXLSEPY-UHFFFAOYSA-N
Compound name
5,5-difluorohexane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.01364 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.02092 139.3
[M+Na]+ 243.00286 148.3
[M-H]- 219.00636 137.5
[M+NH4]+ 238.04746 159.2
[M+K]+ 258.97680 144.6
[M+H-H2O]+ 203.01090 134.4
[M+HCOO]- 265.01184 148.9
[M+CH3COO]- 279.02749 183.3
[M+Na-2H]- 240.98831 142.9
[M]+ 220.01309 142.4
[M]- 220.01419 142.4
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.