CID 335181

Anthranilic acid, n-(5-chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-

Structural Information

Molecular Formula
C14H9ClF3NO2
SMILES
C1=CC=C(C(=C1)C(=O)O)NC2=C(C=CC(=C2)C(F)(F)F)Cl
InChI
InChI=1S/C14H9ClF3NO2/c15-10-6-5-8(14(16,17)18)7-12(10)19-11-4-2-1-3-9(11)13(20)21/h1-7,19H,(H,20,21)
InChIKey
RUACPOOIZRJWPK-UHFFFAOYSA-N
Compound name
2-[2-chloro-5-(trifluoromethyl)anilino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.0274 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.03468 163.4
[M+Na]+ 338.01662 172.9
[M-H]- 314.02012 165.4
[M+NH4]+ 333.06122 178.0
[M+K]+ 353.99056 166.4
[M+H-H2O]+ 298.02466 154.8
[M+HCOO]- 360.02560 177.6
[M+CH3COO]- 374.04125 203.6
[M+Na-2H]- 336.00207 166.6
[M]+ 315.02685 161.1
[M]- 315.02795 161.1
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