CID 21889850

4-fluoro-3-methoxycinnamic acid

Structural Information

Molecular Formula
C10H9FO3
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)O)F
InChI
InChI=1S/C10H9FO3/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6H,1H3,(H,12,13)/b5-3+
InChIKey
NVEDFCULNXTLOA-HWKANZROSA-N
Compound name
(E)-3-(4-fluoro-3-methoxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

174
Patents

196.05357 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.06085 141.3
[M+Na]+ 219.04279 152.6
[M+NH4]+ 214.08739 147.8
[M+K]+ 235.01673 147.2
[M-H]- 195.04629 140.4
[M+Na-2H]- 217.02824 145.9
[M]+ 196.05302 142.4
[M]- 196.05412 142.4
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