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

61
Patents

186.03284 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.040116 132.4
[M+Na]+ 209.022058 142.1
[M-H]- 185.025564 133.1
[M+NH4]+ 204.066663 151.3
[M+K]+ 224.995998 140.3
[M+H-H2O]+ 169.030100 126.7
[M+HCOO]- 231.031041 153.4
[M+CH3COO]- 245.046691 177.6
[M+Na-2H]- 207.007506 136.4
[M]+ 186.03229142 132.7
[M]- 186.03338858 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