CID 55279603

3-fluoro-5-hydroxybenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H4ClFO3S
SMILES
C1=C(C=C(C=C1F)S(=O)(=O)Cl)O
InChI
InChI=1S/C6H4ClFO3S/c7-12(10,11)6-2-4(8)1-5(9)3-6/h1-3,9H
InChIKey
OMKGTNFVEVJECD-UHFFFAOYSA-N
Compound name
3-fluoro-5-hydroxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.95537 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.96265 137.6
[M+Na]+ 232.94459 149.6
[M+NH4]+ 227.98919 145.1
[M+K]+ 248.91853 142.8
[M-H]- 208.94809 136.6
[M+Na-2H]- 230.93004 142.6
[M]+ 209.95482 139.6
[M]- 209.95592 139.6
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.