CID 84714476

1357624-06-6

Structural Information

Molecular Formula
C8H5ClF4O2S
SMILES
C1=CC(=C(C=C1C(F)(F)F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C8H5ClF4O2S/c9-16(14,15)4-5-1-2-6(3-7(5)10)8(11,12)13/h1-3H,4H2
InChIKey
USJYMUZABVRPLS-UHFFFAOYSA-N
Compound name
[2-fluoro-4-(trifluoromethyl)phenyl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.9635 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.97078 145.2
[M+Na]+ 298.95272 156.8
[M-H]- 274.95622 144.7
[M+NH4]+ 293.99732 163.0
[M+K]+ 314.92666 151.3
[M+H-H2O]+ 258.96076 137.7
[M+HCOO]- 320.96170 153.8
[M+CH3COO]- 334.97735 191.8
[M+Na-2H]- 296.93817 148.3
[M]+ 275.96295 145.3
[M]- 275.96405 145.3
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.