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

1
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

patents stripe