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 155.1
[M+Na]+ 281.05842 163.0
[M-H]- 257.06192 159.4
[M+NH4]+ 276.10302 171.0
[M+K]+ 297.03236 158.5
[M+H-H2O]+ 241.06646 147.0
[M+HCOO]- 303.06740 176.7
[M+CH3COO]- 317.08305 192.1
[M+Na-2H]- 279.04387 159.0
[M]+ 258.06865 154.6
[M]- 258.06975 154.6
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