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

9258
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 161.0
[M+Na]+ 318.00592 169.0
[M-H]- 294.00942 165.9
[M+NH4]+ 313.05052 176.5
[M+K]+ 333.97986 162.6
[M+H-H2O]+ 278.01396 155.6
[M+HCOO]- 340.01490 174.0
[M+CH3COO]- 354.03055 199.9
[M+Na-2H]- 315.99137 164.0
[M]+ 295.01615 163.0
[M]- 295.01725 163.0
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