CID 129960809

2-hydroxy-6-(trifluoromethoxy)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H4ClF3O4S
SMILES
C1=CC(=C(C(=C1)OC(F)(F)F)S(=O)(=O)Cl)O
InChI
InChI=1S/C7H4ClF3O4S/c8-16(13,14)6-4(12)2-1-3-5(6)15-7(9,10)11/h1-3,12H
InChIKey
ZGHLDCXTZXWITC-UHFFFAOYSA-N
Compound name
2-hydroxy-6-(trifluoromethoxy)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.94708 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.95436 144.7
[M+Na]+ 298.93630 155.9
[M-H]- 274.93980 144.4
[M+NH4]+ 293.98090 161.8
[M+K]+ 314.91024 151.3
[M+H-H2O]+ 258.94434 138.5
[M+HCOO]- 320.94528 153.7
[M+CH3COO]- 334.96093 187.6
[M+Na-2H]- 296.92175 149.0
[M]+ 275.94653 146.7
[M]- 275.94763 146.7
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.