CID 77511

2-fluoroterephthalic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1041
Patents

184.01718 Da
Monoisotopic Mass

1.2
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

No literature data available for this compound.

Patent stripe

patents stripe