CID 445939

1gyy

Structural Information

Molecular Formula
C9H7FO3
SMILES
C1=CC(=CC=C1/C=C(\C(=O)O)/F)O
InChI
InChI=1S/C9H7FO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-5,11H,(H,12,13)/b8-5+
InChIKey
SBIZDOWXYPNTOJ-VMPITWQZSA-N
Compound name
(E)-2-fluoro-3-(4-hydroxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

182.03792 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.04520 134.6
[M+Na]+ 205.02714 142.2
[M-H]- 181.03064 134.5
[M+NH4]+ 200.07174 153.0
[M+K]+ 221.00108 139.4
[M+H-H2O]+ 165.03518 128.6
[M+HCOO]- 227.03612 154.2
[M+CH3COO]- 241.05177 175.4
[M+Na-2H]- 203.01259 138.1
[M]+ 182.03737 131.5
[M]- 182.03847 131.5
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