CID 81990

Chlorodiphenylacetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6107
Patents

246.04475 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.052026 151.9
[M+Na]+ 269.033968 159.4
[M-H]- 245.037474 157.2
[M+NH4]+ 264.078573 168.9
[M+K]+ 285.007908 154.1
[M+H-H2O]+ 229.042010 146.1
[M+HCOO]- 291.042951 168.4
[M+CH3COO]- 305.058601 187.7
[M+Na-2H]- 267.019416 158.7
[M]+ 246.04420142 152.5
[M]- 246.04529858 152.5
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