CID 343030

2-phenyl-4h-furo[3,2-b]pyrrole-5-carboxylic acid

Structural Information

Molecular Formula
C13H9NO3
SMILES
C1=CC=C(C=C1)C2=CC3=C(O2)C=C(N3)C(=O)O
InChI
InChI=1S/C13H9NO3/c15-13(16)10-7-12-9(14-10)6-11(17-12)8-4-2-1-3-5-8/h1-7,14H,(H,15,16)
InChIKey
YBXIFUGEUZCJFX-UHFFFAOYSA-N
Compound name
2-phenyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

227.05824 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06552 146.2
[M+Na]+ 250.04746 156.3
[M-H]- 226.05096 152.1
[M+NH4]+ 245.09206 164.9
[M+K]+ 266.02140 153.1
[M+H-H2O]+ 210.05550 140.6
[M+HCOO]- 272.05644 168.4
[M+CH3COO]- 286.07209 159.9
[M+Na-2H]- 248.03291 150.8
[M]+ 227.05769 148.2
[M]- 227.05879 148.2
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

No patent data available for this compound.