CID 1550911

Alpha-fluorocinnamic acid

Structural Information

Molecular Formula
C9H7FO2
SMILES
C1=CC=C(C=C1)/C=C(/C(=O)O)\F
InChI
InChI=1S/C9H7FO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,(H,11,12)/b8-6-
InChIKey
QONCEXMULRJPPY-VURMDHGXSA-N
Compound name
(Z)-2-fluoro-3-phenylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

143
Patents

166.04301 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.050286 131.6
[M+Na]+ 189.032228 138.8
[M-H]- 165.035734 132.6
[M+NH4]+ 184.076833 151.2
[M+K]+ 205.006168 136.3
[M+H-H2O]+ 149.040270 125.4
[M+HCOO]- 211.041211 152.5
[M+CH3COO]- 225.056861 174.7
[M+Na-2H]- 187.017676 136.3
[M]+ 166.04246142 128.6
[M]- 166.04355858 128.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe