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

69
Patents

260.0604 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.06768 156.1
[M+Na]+ 283.04962 163.2
[M-H]- 259.05312 161.2
[M+NH4]+ 278.09422 172.6
[M+K]+ 299.02356 157.8
[M+H-H2O]+ 243.05766 149.8
[M+HCOO]- 305.05860 172.8
[M+CH3COO]- 319.07425 192.3
[M+Na-2H]- 281.03507 159.6
[M]+ 260.05985 157.2
[M]- 260.06095 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