CID 3040088

51671-08-0

Structural Information

Molecular Formula
C17H11Cl2NO2
SMILES
C1=CC=C2C(=C1)C(=CC(=C2NC3=CC=CC=C3C(=O)O)Cl)Cl
InChI
InChI=1S/C17H11Cl2NO2/c18-13-9-14(19)16(11-6-2-1-5-10(11)13)20-15-8-4-3-7-12(15)17(21)22/h1-9,20H,(H,21,22)
InChIKey
IIYRDOASPQJNPK-UHFFFAOYSA-N
Compound name
2-[(2,4-dichloronaphthalen-1-yl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

331.0167 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.02398 170.2
[M+Na]+ 354.00592 180.4
[M-H]- 330.00942 176.3
[M+NH4]+ 349.05052 185.8
[M+K]+ 369.97986 172.8
[M+H-H2O]+ 314.01396 164.4
[M+HCOO]- 376.01490 182.9
[M+CH3COO]- 390.03055 181.6
[M+Na-2H]- 351.99137 174.6
[M]+ 331.01615 173.7
[M]- 331.01725 173.7
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