CID 274289

2'-(trifluoromethyl)phthalanilic acid

Structural Information

Molecular Formula
C15H10F3NO3
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=CC=C2C(F)(F)F)C(=O)O
InChI
InChI=1S/C15H10F3NO3/c16-15(17,18)11-7-3-4-8-12(11)19-13(20)9-5-1-2-6-10(9)14(21)22/h1-8H,(H,19,20)(H,21,22)
InChIKey
FVJBRCBFURYRIQ-UHFFFAOYSA-N
Compound name
2-[[2-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

309.06128 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.06856 164.8
[M+Na]+ 332.05050 172.0
[M-H]- 308.05400 166.5
[M+NH4]+ 327.09510 178.1
[M+K]+ 348.02444 167.7
[M+H-H2O]+ 292.05854 155.0
[M+HCOO]- 354.05948 182.5
[M+CH3COO]- 368.07513 203.3
[M+Na-2H]- 330.03595 167.4
[M]+ 309.06073 160.0
[M]- 309.06183 160.0
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