CID 117389779

1891900-27-8

Structural Information

Molecular Formula
C9H9ClF2O2S
SMILES
CC(C1=CC=C(C=C1)CS(=O)(=O)Cl)(F)F
InChI
InChI=1S/C9H9ClF2O2S/c1-9(11,12)8-4-2-7(3-5-8)6-15(10,13)14/h2-5H,6H2,1H3
InChIKey
BJSVMBACPVCXJK-UHFFFAOYSA-N
Compound name
[4-(1,1-difluoroethyl)phenyl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.99799 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.00527 146.1
[M+Na]+ 276.98721 156.4
[M-H]- 252.99071 148.0
[M+NH4]+ 272.03181 164.8
[M+K]+ 292.96115 151.5
[M+H-H2O]+ 236.99525 140.3
[M+HCOO]- 298.99619 156.6
[M+CH3COO]- 313.01184 188.7
[M+Na-2H]- 274.97266 150.4
[M]+ 253.99744 148.7
[M]- 253.99854 148.7
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.