CID 14233437

2-amino-5-phenoxybenzoic acid

Structural Information

Molecular Formula
C13H11NO3
SMILES
C1=CC=C(C=C1)OC2=CC(=C(C=C2)N)C(=O)O
InChI
InChI=1S/C13H11NO3/c14-12-7-6-10(8-11(12)13(15)16)17-9-4-2-1-3-5-9/h1-8H,14H2,(H,15,16)
InChIKey
DQQGVGXQQYLHTC-UHFFFAOYSA-N
Compound name
2-amino-5-phenoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

229.0739 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.081176 148.6
[M+Na]+ 252.063118 156.0
[M-H]- 228.066624 154.0
[M+NH4]+ 247.107723 165.2
[M+K]+ 268.037058 152.8
[M+H-H2O]+ 212.071160 141.4
[M+HCOO]- 274.072101 172.1
[M+CH3COO]- 288.087751 189.4
[M+Na-2H]- 250.048566 153.5
[M]+ 229.07335142 147.5
[M]- 229.07444858 147.5
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