CID 137935620

2253641-06-2

Structural Information

Molecular Formula
C8H11ClF2O2S
SMILES
C1CCC2(C(C1)C2(F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C8H11ClF2O2S/c9-14(12,13)5-7-4-2-1-3-6(7)8(7,10)11/h6H,1-5H2
InChIKey
CINHFDBHBVAGJY-UHFFFAOYSA-N
Compound name
(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.01364 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.02092 139.8
[M+Na]+ 267.00286 150.2
[M-H]- 243.00636 142.3
[M+NH4]+ 262.04746 158.3
[M+K]+ 282.97680 147.0
[M+H-H2O]+ 227.01090 135.7
[M+HCOO]- 289.01184 147.2
[M+CH3COO]- 303.02749 188.8
[M+Na-2H]- 264.98831 146.1
[M]+ 244.01309 143.0
[M]- 244.01419 143.0
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

No patent data available for this compound.