CID 13578749

2-[4-(2-chlorophenyl)phenyl]propanoic acid

Structural Information

Molecular Formula
C15H13ClO2
SMILES
CC(C1=CC=C(C=C1)C2=CC=CC=C2Cl)C(=O)O
InChI
InChI=1S/C15H13ClO2/c1-10(15(17)18)11-6-8-12(9-7-11)13-4-2-3-5-14(13)16/h2-10H,1H3,(H,17,18)
InChIKey
YHVLXWOWBIZXCZ-UHFFFAOYSA-N
Compound name
2-[4-(2-chlorophenyl)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

260.0604 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.067676 155.4
[M+Na]+ 283.049618 163.5
[M-H]- 259.053124 161.0
[M+NH4]+ 278.094223 172.3
[M+K]+ 299.023558 158.2
[M+H-H2O]+ 243.057660 149.4
[M+HCOO]- 305.058601 172.1
[M+CH3COO]- 319.074251 193.5
[M+Na-2H]- 281.035066 158.3
[M]+ 260.05985142 157.0
[M]- 260.06094858 157.0
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