CID 10781314

301538-65-8

Structural Information

Molecular Formula
C17H13NO5
SMILES
C1=CC=C2C(=C1)C(=C(O2)C(=O)C3=CC=C(C=C3)OCC(=O)O)N
InChI
InChI=1S/C17H13NO5/c18-15-12-3-1-2-4-13(12)23-17(15)16(21)10-5-7-11(8-6-10)22-9-14(19)20/h1-8H,9,18H2,(H,19,20)
InChIKey
MOLLUFQVIBRAMA-UHFFFAOYSA-N
Compound name
2-[4-(3-amino-1-benzofuran-2-carbonyl)phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.07938 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.08666 168.6
[M+Na]+ 334.06860 176.9
[M-H]- 310.07210 176.2
[M+NH4]+ 329.11320 183.2
[M+K]+ 350.04254 174.6
[M+H-H2O]+ 294.07664 161.4
[M+HCOO]- 356.07758 191.2
[M+CH3COO]- 370.09323 204.8
[M+Na-2H]- 332.05405 171.9
[M]+ 311.07883 172.5
[M]- 311.07993 172.5
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

No patent data available for this compound.