CID 4092839

3645-69-0

Structural Information

Molecular Formula
C17H14O3
SMILES
C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)CC(=O)O
InChI
InChI=1S/C17H14O3/c18-16(11-8-13-4-2-1-3-5-13)15-9-6-14(7-10-15)12-17(19)20/h1-11H,12H2,(H,19,20)
InChIKey
FUBIEIGQPXUXNV-UHFFFAOYSA-N
Compound name
2-[4-(3-phenylprop-2-enoyl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

266.0943 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10158 160.7
[M+Na]+ 289.08352 166.7
[M-H]- 265.08702 165.7
[M+NH4]+ 284.12812 175.8
[M+K]+ 305.05746 162.1
[M+H-H2O]+ 249.09156 153.1
[M+HCOO]- 311.09250 181.8
[M+CH3COO]- 325.10815 194.3
[M+Na-2H]- 287.06897 163.5
[M]+ 266.09375 160.1
[M]- 266.09485 160.1
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