CID 8609

Phenyl aminosalicylate

Structural Information

Molecular Formula
C13H11NO3
SMILES
C1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)N)O
InChI
InChI=1S/C13H11NO3/c14-9-6-7-11(12(15)8-9)13(16)17-10-4-2-1-3-5-10/h1-8,15H,14H2
InChIKey
DNVVZWSVACQWJE-UHFFFAOYSA-N
Compound name
phenyl 4-amino-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

14
References

2161
Patents

229.0739 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.08118 148.9
[M+Na]+ 252.06312 156.4
[M-H]- 228.06662 154.4
[M+NH4]+ 247.10772 165.5
[M+K]+ 268.03706 153.1
[M+H-H2O]+ 212.07116 141.7
[M+HCOO]- 274.07210 172.4
[M+CH3COO]- 288.08775 188.7
[M+Na-2H]- 250.04857 153.7
[M]+ 229.07335 147.7
[M]- 229.07445 147.7
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