CID 165942741

3,3-difluorocycloheptane-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H11ClF2O2S
SMILES
C1CCC(CC(C1)S(=O)(=O)Cl)(F)F
InChI
InChI=1S/C7H11ClF2O2S/c8-13(11,12)6-3-1-2-4-7(9,10)5-6/h6H,1-5H2
InChIKey
GULCXJXLGGXWRT-UHFFFAOYSA-N
Compound name
3,3-difluorocycloheptane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.01364 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.020916 134.5
[M+Na]+ 255.002858 140.7
[M-H]- 231.006364 136.2
[M+NH4]+ 250.047463 154.0
[M+K]+ 270.976798 141.6
[M+H-H2O]+ 215.010900 129.4
[M+HCOO]- 277.011841 142.6
[M+CH3COO]- 291.027491 184.7
[M+Na-2H]- 252.988306 137.5
[M]+ 232.01309142 129.4
[M]- 232.01418858 129.4
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.