CID 6199798

(2e)-3-[4-(4-fluorophenoxy)phenyl]prop-2-enoic acid

Structural Information

Molecular Formula
C15H11FO3
SMILES
C1=CC(=CC=C1/C=C/C(=O)O)OC2=CC=C(C=C2)F
InChI
InChI=1S/C15H11FO3/c16-12-4-8-14(9-5-12)19-13-6-1-11(2-7-13)3-10-15(17)18/h1-10H,(H,17,18)/b10-3+
InChIKey
WESGDCQCHIRDMG-XCVCLJGOSA-N
Compound name
(E)-3-[4-(4-fluorophenoxy)phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

258.0692 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07648 158.2
[M+Na]+ 281.05842 171.5
[M+NH4]+ 276.10302 165.1
[M+K]+ 297.03236 164.3
[M-H]- 257.06192 160.1
[M+Na-2H]- 279.04387 165.8
[M]+ 258.06865 160.5
[M]- 258.06975 160.5
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