CID 138040905

2004214-87-1

Structural Information

Molecular Formula
C6H9ClF2O2S
SMILES
CC(C1(CC1)CS(=O)(=O)Cl)(F)F
InChI
InChI=1S/C6H9ClF2O2S/c1-5(8,9)6(2-3-6)4-12(7,10)11/h2-4H2,1H3
InChIKey
WSDUWPGWYOYNPQ-UHFFFAOYSA-N
Compound name
[1-(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

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.00527 131.9
[M+Na]+ 240.98721 142.3
[M-H]- 216.99071 134.2
[M+NH4]+ 236.03181 148.5
[M+K]+ 256.96115 139.0
[M+H-H2O]+ 200.99525 127.1
[M+HCOO]- 262.99619 141.8
[M+CH3COO]- 277.01184 184.6
[M+Na-2H]- 238.97266 137.9
[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.