CID 122199035

1261752-22-0

Structural Information

Molecular Formula
C7H4ClF3O3S
SMILES
C1=CC(=C(C(=C1)O)S(=O)(=O)Cl)C(F)(F)F
InChI
InChI=1S/C7H4ClF3O3S/c8-15(13,14)6-4(7(9,10)11)2-1-3-5(6)12/h1-3,12H
InChIKey
WCGCSENCSMYNHI-UHFFFAOYSA-N
Compound name
2-hydroxy-6-(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 152.4
[M+Na]+ 282.94140 161.0
[M+NH4]+ 277.98600 157.2
[M+K]+ 298.91534 155.6
[M-H]- 258.94490 147.6
[M+Na-2H]- 280.92685 155.0
[M]+ 259.95163 152.6
[M]- 259.95273 152.6
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.