CID 735833

2-fluorocinnamic acid

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

2
References

747
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 133.9
[M+Na]+ 189.03223 145.6
[M+NH4]+ 184.07683 141.2
[M+K]+ 205.00617 139.6
[M-H]- 165.03573 133.6
[M+Na-2H]- 187.01768 139.5
[M]+ 166.04246 135.2
[M]- 166.04356 135.2
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