CID 53376

3-biphenylacetic acid, 5-chloro-

Structural Information

Molecular Formula
C14H11ClO2
SMILES
C1=CC=C(C=C1)C2=CC(=CC(=C2)CC(=O)O)Cl
InChI
InChI=1S/C14H11ClO2/c15-13-7-10(8-14(16)17)6-12(9-13)11-4-2-1-3-5-11/h1-7,9H,8H2,(H,16,17)
InChIKey
RZLRSTFBXAMFJV-UHFFFAOYSA-N
Compound name
2-(3-chloro-5-phenylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

246.04475 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.05203 151.2
[M+Na]+ 269.03397 160.1
[M-H]- 245.03747 156.9
[M+NH4]+ 264.07857 168.7
[M+K]+ 285.00791 154.5
[M+H-H2O]+ 229.04201 145.3
[M+HCOO]- 291.04295 169.2
[M+CH3COO]- 305.05860 189.6
[M+Na-2H]- 267.01942 155.8
[M]+ 246.04420 153.0
[M]- 246.04530 153.0
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

No patent data available for this compound.