CID 247458

3,5-dicarboxybenzenesulfonyl fluoride

Structural Information

Molecular Formula
C8H5FO6S
SMILES
C1=C(C=C(C=C1C(=O)O)S(=O)(=O)F)C(=O)O
InChI
InChI=1S/C8H5FO6S/c9-16(14,15)6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey
NVKOTYRAFOFHGL-UHFFFAOYSA-N
Compound name
5-fluorosulfonylbenzene-1,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.97908 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.98636 143.7
[M+Na]+ 270.96830 152.4
[M-H]- 246.97180 144.0
[M+NH4]+ 266.01290 159.6
[M+K]+ 286.94224 149.7
[M+H-H2O]+ 230.97634 137.8
[M+HCOO]- 292.97728 157.5
[M+CH3COO]- 306.99293 183.5
[M+Na-2H]- 268.95375 145.6
[M]+ 247.97853 145.3
[M]- 247.97963 145.3
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.