CID 16225168

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

Structural Information

Molecular Formula
C7H4BrNO3
SMILES
C1=C(NC2=C1OC=C2Br)C(=O)O
InChI
InChI=1S/C7H4BrNO3/c8-3-2-12-5-1-4(7(10)11)9-6(3)5/h1-2,9H,(H,10,11)
InChIKey
GRTOFBWMOOTRLU-UHFFFAOYSA-N
Compound name
3-bromo-4H-furo[3,2-b]pyrrole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

228.93745 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.94473 140.5
[M+Na]+ 251.92667 154.7
[M-H]- 227.93017 145.9
[M+NH4]+ 246.97127 163.0
[M+K]+ 267.90061 144.9
[M+H-H2O]+ 211.93471 141.8
[M+HCOO]- 273.93565 160.8
[M+CH3COO]- 287.95130 179.6
[M+Na-2H]- 249.91212 146.9
[M]+ 228.93690 160.9
[M]- 228.93800 160.9
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