CID 99202

3,5-dichloro-2-hydroxybenzenesulfonyl fluoride

Structural Information

Molecular Formula
C6H3Cl2FO3S
SMILES
C1=C(C=C(C(=C1S(=O)(=O)F)O)Cl)Cl
InChI
InChI=1S/C6H3Cl2FO3S/c7-3-1-4(8)6(10)5(2-3)13(9,11)12/h1-2,10H
InChIKey
ZLIQQQUQVHJBOH-UHFFFAOYSA-N
Compound name
3,5-dichloro-2-hydroxybenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.9164 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.92368 136.8
[M+Na]+ 266.90562 149.2
[M-H]- 242.90912 139.1
[M+NH4]+ 261.95022 156.1
[M+K]+ 282.87956 143.5
[M+H-H2O]+ 226.91366 133.8
[M+HCOO]- 288.91460 144.5
[M+CH3COO]- 302.93025 183.1
[M+Na-2H]- 264.89107 140.2
[M]+ 243.91585 141.2
[M]- 243.91695 141.2
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.