CID 138987483

Rac-[(1r,2r)-2-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride

Structural Information

Molecular Formula
C6H9ClF2O2S
SMILES
CC([C@@H]1C[C@H]1CS(=O)(=O)Cl)(F)F
InChI
InChI=1S/C6H9ClF2O2S/c1-6(8,9)5-2-4(5)3-12(7,10)11/h4-5H,2-3H2,1H3/t4-,5+/m0/s1
InChIKey
YZJNPLJALAVPEP-CRCLSJGQSA-N
Compound name
[(1R,2R)-2-(1,1-difluoroethyl)cyclopropyl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.99799 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.00527 131.5
[M+Na]+ 240.98721 142.2
[M-H]- 216.99071 133.9
[M+NH4]+ 236.03181 146.6
[M+K]+ 256.96115 137.8
[M+H-H2O]+ 200.99525 125.5
[M+HCOO]- 262.99619 141.7
[M+CH3COO]- 277.01184 186.1
[M+Na-2H]- 238.97266 135.4
[M]+ 217.99744 135.9
[M]- 217.99854 135.9
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.