CID 349244

3'-hydroxyphthalanilic acid

Structural Information

Molecular Formula
C14H11NO4
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)O)C(=O)O
InChI
InChI=1S/C14H11NO4/c16-10-5-3-4-9(8-10)15-13(17)11-6-1-2-7-12(11)14(18)19/h1-8,16H,(H,15,17)(H,18,19)
InChIKey
PHTZVGCQVXOGLA-UHFFFAOYSA-N
Compound name
2-[(3-hydroxyphenyl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

257.06882 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07610 155.1
[M+Na]+ 280.05804 161.5
[M-H]- 256.06154 159.5
[M+NH4]+ 275.10264 169.8
[M+K]+ 296.03198 158.1
[M+H-H2O]+ 240.06608 147.8
[M+HCOO]- 302.06702 176.7
[M+CH3COO]- 316.08267 192.3
[M+Na-2H]- 278.04349 158.8
[M]+ 257.06827 153.5
[M]- 257.06937 153.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe