CID 3059618

76874-95-8

Structural Information

Molecular Formula
C14H10F3NO4
SMILES
C1=CC(=C(C=C1NC2=C(C=C(C=C2)O)C(=O)O)C(F)(F)F)O
InChI
InChI=1S/C14H10F3NO4/c15-14(16,17)10-5-7(1-4-12(10)20)18-11-3-2-8(19)6-9(11)13(21)22/h1-6,18-20H,(H,21,22)
InChIKey
ZSUPWVOAEVDEBK-UHFFFAOYSA-N
Compound name
5-hydroxy-2-[4-hydroxy-3-(trifluoromethyl)anilino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.05618 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.06346 164.5
[M+Na]+ 336.04540 172.8
[M-H]- 312.04890 164.2
[M+NH4]+ 331.09000 176.8
[M+K]+ 352.01934 168.0
[M+H-H2O]+ 296.05344 155.3
[M+HCOO]- 358.05438 180.4
[M+CH3COO]- 372.07003 201.1
[M+Na-2H]- 334.03085 166.6
[M]+ 313.05563 159.3
[M]- 313.05673 159.3
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

No patent data available for this compound.