CID 99963996

2-hydroxy-5-(trifluoromethyl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H4ClF3O3S
SMILES
C1=CC(=C(C=C1C(F)(F)F)S(=O)(=O)Cl)O
InChI
InChI=1S/C7H4ClF3O3S/c8-15(13,14)6-3-4(7(9,10)11)1-2-5(6)12/h1-3,12H
InChIKey
OYMPSPOAOKBAGC-UHFFFAOYSA-N
Compound name
2-hydroxy-5-(trifluoromethyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.95218 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.959456 141.8
[M+Na]+ 282.941398 153.1
[M-H]- 258.944904 141.4
[M+NH4]+ 277.986003 159.6
[M+K]+ 298.915338 148.0
[M+H-H2O]+ 242.949440 135.7
[M+HCOO]- 304.950381 150.5
[M+CH3COO]- 318.966031 185.4
[M+Na-2H]- 280.926846 145.8
[M]+ 259.95163142 142.3
[M]- 259.95272858 142.3
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.