CID 137935928

2253638-93-4

Structural Information

Molecular Formula
C6H2ClF3O3S
SMILES
C1=C(C(=C(C(=C1F)F)F)S(=O)(=O)Cl)O
InChI
InChI=1S/C6H2ClF3O3S/c7-14(12,13)6-3(11)1-2(8)4(9)5(6)10/h1,11H
InChIKey
HNYKHNWUOMZGPO-UHFFFAOYSA-N
Compound name
2,3,4-trifluoro-6-hydroxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.93652 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.94380 135.0
[M+Na]+ 268.92574 148.0
[M-H]- 244.92924 135.2
[M+NH4]+ 263.97034 153.8
[M+K]+ 284.89968 142.7
[M+H-H2O]+ 228.93378 129.2
[M+HCOO]- 290.93472 145.5
[M+CH3COO]- 304.95037 185.1
[M+Na-2H]- 266.91119 137.3
[M]+ 245.93597 136.5
[M]- 245.93707 136.5
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.