CID 20495684

3-amino-4-phenoxybenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

229.0739 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.08118 148.6
[M+Na]+ 252.06312 156.0
[M-H]- 228.06662 154.0
[M+NH4]+ 247.10772 165.2
[M+K]+ 268.03706 152.8
[M+H-H2O]+ 212.07116 141.4
[M+HCOO]- 274.07210 172.1
[M+CH3COO]- 288.08775 189.4
[M+Na-2H]- 250.04857 153.5
[M]+ 229.07335 147.5
[M]- 229.07445 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