CID 36678

O,p'-dda

Structural Information

Molecular Formula
C14H10Cl2O2
SMILES
C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(=O)O)Cl
InChI
InChI=1S/C14H10Cl2O2/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13H,(H,17,18)
InChIKey
DHPZADPFGZNIIV-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-2-(4-chlorophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

0
Patents

280.0058 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.01308 155.8
[M+Na]+ 302.99502 164.8
[M-H]- 278.99852 160.8
[M+NH4]+ 298.03962 172.3
[M+K]+ 318.96896 158.4
[M+H-H2O]+ 263.00306 150.8
[M+HCOO]- 325.00400 167.8
[M+CH3COO]- 339.01965 195.0
[M+Na-2H]- 300.98047 158.6
[M]+ 280.00525 158.5
[M]- 280.00635 158.5
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

No patent data available for this compound.