CID 4586574

2-(4-chlorophenyl)-2-phenylacetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

246.04475 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.05203 151.3
[M+Na]+ 269.03397 159.0
[M-H]- 245.03747 156.7
[M+NH4]+ 264.07857 168.5
[M+K]+ 285.00791 153.8
[M+H-H2O]+ 229.04201 145.3
[M+HCOO]- 291.04295 168.4
[M+CH3COO]- 305.05860 189.3
[M+Na-2H]- 267.01942 155.5
[M]+ 246.04420 152.2
[M]- 246.04530 152.2
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