CID 12636966

2215-83-0

Structural Information

Molecular Formula
C15H12O3
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)/C=C/C(=O)O
InChI
InChI=1S/C15H12O3/c16-15(17)11-8-12-6-9-14(10-7-12)18-13-4-2-1-3-5-13/h1-11H,(H,16,17)/b11-8+
InChIKey
XWGDODCEQXQAFQ-DHZHZOJOSA-N
Compound name
(E)-3-(4-phenoxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

40
Patents

240.07864 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08592 152.6
[M+Na]+ 263.06786 159.5
[M-H]- 239.07136 158.0
[M+NH4]+ 258.11246 169.0
[M+K]+ 279.04180 155.5
[M+H-H2O]+ 223.07590 145.3
[M+HCOO]- 285.07684 175.2
[M+CH3COO]- 299.09249 188.3
[M+Na-2H]- 261.05331 157.8
[M]+ 240.07809 152.7
[M]- 240.07919 152.7
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