CID 242256

4-fluorobenzene-1,3-dicarboxylic acid

Structural Information

Molecular Formula
C8H5FO4
SMILES
C1=CC(=C(C=C1C(=O)O)C(=O)O)F
InChI
InChI=1S/C8H5FO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey
OPWLKVOLSUNGEI-UHFFFAOYSA-N
Compound name
4-fluorobenzene-1,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

184.01718 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.02446 131.7
[M+Na]+ 207.00640 140.4
[M-H]- 183.00990 132.1
[M+NH4]+ 202.05100 150.2
[M+K]+ 222.98034 138.5
[M+H-H2O]+ 167.01444 125.9
[M+HCOO]- 229.01538 151.8
[M+CH3COO]- 243.03103 176.4
[M+Na-2H]- 204.99185 135.1
[M]+ 184.01663 130.2
[M]- 184.01773 130.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe