CID 1530234

4-fluorocinnamic acid

Structural Information

Molecular Formula
C9H7FO2
SMILES
C1=CC(=CC=C1/C=C/C(=O)O)F
InChI
InChI=1S/C9H7FO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+
InChIKey
ISMMYAZSUSYVQG-ZZXKWVIFSA-N
Compound name
(E)-3-(4-fluorophenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1135
Patents

166.04301 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05029 130.7
[M+Na]+ 189.03223 139.0
[M-H]- 165.03573 132.0
[M+NH4]+ 184.07683 150.6
[M+K]+ 205.00617 136.1
[M+H-H2O]+ 149.04027 124.6
[M+HCOO]- 211.04121 152.6
[M+CH3COO]- 225.05686 174.9
[M+Na-2H]- 187.01768 136.0
[M]+ 166.04246 128.7
[M]- 166.04356 128.7
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