CID 13787749

Orthofen

Structural Information

Molecular Formula
C14H11Cl2NO2
SMILES
C1=CC=C(C=C1)C(C(=O)O)NC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H11Cl2NO2/c15-10-6-7-12(11(16)8-10)17-13(14(18)19)9-4-2-1-3-5-9/h1-8,13,17H,(H,18,19)
InChIKey
LVDZIYGMTAHAIY-UHFFFAOYSA-N
Compound name
2-(2,4-dichloroanilino)-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9212
References

2
Patents

295.0167 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.02398 163.0
[M+Na]+ 318.00592 177.6
[M+NH4]+ 313.05052 171.5
[M+K]+ 333.97986 169.9
[M-H]- 294.00942 167.1
[M+Na-2H]- 315.99137 171.5
[M]+ 295.01615 166.9
[M]- 295.01725 166.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe