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]+ 233.02092 134.5
[M+Na]+ 255.00286 140.7
[M-H]- 231.00636 136.2
[M+NH4]+ 250.04746 154.0
[M+K]+ 270.97680 141.6
[M+H-H2O]+ 215.01090 129.4
[M+HCOO]- 277.01184 142.6
[M+CH3COO]- 291.02749 184.7
[M+Na-2H]- 252.98831 137.5
[M]+ 232.01309 129.4
[M]- 232.01419 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.