CID 55279604

4-fluoro-2-hydroxybenzene-1-sulfonyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.95537 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.96265 132.7
[M+Na]+ 232.94459 144.2
[M-H]- 208.94809 135.1
[M+NH4]+ 227.98919 152.7
[M+K]+ 248.91853 139.6
[M+H-H2O]+ 192.95263 128.5
[M+HCOO]- 254.95357 145.4
[M+CH3COO]- 268.96922 177.1
[M+Na-2H]- 230.93004 137.3
[M]+ 209.95482 135.8
[M]- 209.95592 135.8
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.