CID 211575

23379-03-5

Structural Information

Molecular Formula
C8H3Cl4FO4S
SMILES
C1=CC(=C(C=C1S(=O)(=O)F)Cl)OC(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C8H3Cl4FO4S/c9-5-3-4(18(13,15)16)1-2-6(5)17-7(14)8(10,11)12/h1-3H
InChIKey
OCTQHHDGKHCYKV-UHFFFAOYSA-N
Compound name
(2-chloro-4-fluorosulfonylphenyl) 2,2,2-trichloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.84903 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.85631 158.9
[M+Na]+ 376.83825 169.1
[M-H]- 352.84175 160.3
[M+NH4]+ 371.88285 173.8
[M+K]+ 392.81219 164.2
[M+H-H2O]+ 336.84629 156.7
[M+HCOO]- 398.84723 155.2
[M+CH3COO]- 412.86288 202.2
[M+Na-2H]- 374.82370 160.6
[M]+ 353.84848 163.9
[M]- 353.84958 163.9
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.