CID 124132174

5-ethoxy-2-fluorobenzoic acid

Structural Information

Molecular Formula
C9H9FO3
SMILES
CCOC1=CC(=C(C=C1)F)C(=O)O
InChI
InChI=1S/C9H9FO3/c1-2-13-6-3-4-8(10)7(5-6)9(11)12/h3-5H,2H2,1H3,(H,11,12)
InChIKey
DQOGMYOSVCCVCW-UHFFFAOYSA-N
Compound name
5-ethoxy-2-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

184.05357 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.06085 134.2
[M+Na]+ 207.04279 143.1
[M-H]- 183.04629 135.8
[M+NH4]+ 202.08739 153.7
[M+K]+ 223.01673 141.3
[M+H-H2O]+ 167.05083 128.1
[M+HCOO]- 229.05177 156.1
[M+CH3COO]- 243.06742 179.7
[M+Na-2H]- 205.02824 138.8
[M]+ 184.05302 134.9
[M]- 184.05412 134.9
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