CID 167729016

5-[(fluorosulfonyl)oxy]benzene-1,3-dicarboxylic acid

Structural Information

Molecular Formula
C8H5FO7S
SMILES
C1=C(C=C(C=C1C(=O)O)OS(=O)(=O)F)C(=O)O
InChI
InChI=1S/C8H5FO7S/c9-17(14,15)16-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey
IMADAYXGQMMVCN-UHFFFAOYSA-N
Compound name
5-fluorosulfonyloxybenzene-1,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.974 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.98128 146.4
[M+Na]+ 286.96322 154.8
[M-H]- 262.96672 146.7
[M+NH4]+ 282.00782 161.5
[M+K]+ 302.93716 152.8
[M+H-H2O]+ 246.97126 140.2
[M+HCOO]- 308.97220 160.5
[M+CH3COO]- 322.98785 185.8
[M+Na-2H]- 284.94867 148.6
[M]+ 263.97345 149.5
[M]- 263.97455 149.5
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.