CID 105473382

3-cyclopropyl-2,2-difluoropropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H9ClF2O2S
SMILES
C1CC1CC(CS(=O)(=O)Cl)(F)F
InChI
InChI=1S/C6H9ClF2O2S/c7-12(10,11)4-6(8,9)3-5-1-2-5/h5H,1-4H2
InChIKey
NXLADVVZNXAFQS-UHFFFAOYSA-N
Compound name
3-cyclopropyl-2,2-difluoropropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.99799 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.00527 132.3
[M+Na]+ 240.98721 142.3
[M-H]- 216.99071 134.4
[M+NH4]+ 236.03181 147.1
[M+K]+ 256.96115 137.9
[M+H-H2O]+ 200.99525 126.0
[M+HCOO]- 262.99619 142.6
[M+CH3COO]- 277.01184 185.0
[M+Na-2H]- 238.97266 136.8
[M]+ 217.99744 136.4
[M]- 217.99854 136.4
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.