CID 22270559

3-(4-chlorophenyl)-2-phenylpropanoic acid

Structural Information

Molecular Formula
C15H13ClO2
SMILES
C1=CC=C(C=C1)C(CC2=CC=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C15H13ClO2/c16-13-8-6-11(7-9-13)10-14(15(17)18)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,17,18)
InChIKey
SWSXUIFHQYDLHO-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

260.0604 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.067676 156.1
[M+Na]+ 283.049618 163.2
[M-H]- 259.053124 161.2
[M+NH4]+ 278.094223 172.6
[M+K]+ 299.023558 157.8
[M+H-H2O]+ 243.057660 149.8
[M+HCOO]- 305.058601 172.8
[M+CH3COO]- 319.074251 192.3
[M+Na-2H]- 281.035066 159.6
[M]+ 260.05985142 157.3
[M]- 260.06094858 157.3
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