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]+ 260.95946 141.8
[M+Na]+ 282.94140 153.1
[M-H]- 258.94490 141.4
[M+NH4]+ 277.98600 159.6
[M+K]+ 298.91534 148.0
[M+H-H2O]+ 242.94944 135.7
[M+HCOO]- 304.95038 150.5
[M+CH3COO]- 318.96603 185.4
[M+Na-2H]- 280.92685 145.8
[M]+ 259.95163 142.3
[M]- 259.95273 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.