CID 53417174

3,3-difluorocyclopentane-1-sulfonyl chloride

Structural Information

Molecular Formula
C5H7ClF2O2S
SMILES
C1CC(CC1S(=O)(=O)Cl)(F)F
InChI
InChI=1S/C5H7ClF2O2S/c6-11(9,10)4-1-2-5(7,8)3-4/h4H,1-3H2
InChIKey
BMYSYKBVWVFQRH-UHFFFAOYSA-N
Compound name
3,3-difluorocyclopentane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

203.98233 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.98961 133.2
[M+Na]+ 226.97155 143.6
[M-H]- 202.97505 134.9
[M+NH4]+ 222.01615 157.4
[M+K]+ 242.94549 140.2
[M+H-H2O]+ 186.97959 129.3
[M+HCOO]- 248.98053 144.2
[M+CH3COO]- 262.99618 176.7
[M+Na-2H]- 224.95700 136.1
[M]+ 203.98178 133.0
[M]- 203.98288 133.0
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

patents stripe