CID 84769935

3-fluoro-2-hydroxy-4-methoxybenzoic acid

Structural Information

Molecular Formula
C8H7FO4
SMILES
COC1=C(C(=C(C=C1)C(=O)O)O)F
InChI
InChI=1S/C8H7FO4/c1-13-5-3-2-4(8(11)12)7(10)6(5)9/h2-3,10H,1H3,(H,11,12)
InChIKey
GWHFANQHLUQEPI-UHFFFAOYSA-N
Compound name
3-fluoro-2-hydroxy-4-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

186.03284 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.04012 132.4
[M+Na]+ 209.02206 142.1
[M-H]- 185.02556 133.1
[M+NH4]+ 204.06666 151.3
[M+K]+ 224.99600 140.3
[M+H-H2O]+ 169.03010 126.7
[M+HCOO]- 231.03104 153.4
[M+CH3COO]- 245.04669 177.6
[M+Na-2H]- 207.00751 136.4
[M]+ 186.03229 132.7
[M]- 186.03339 132.7
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