CID 53212596

Methyl 2-bromo-4h-furo[3,2-b]pyrrole-5-carboxylate

Structural Information

Molecular Formula
C8H6BrNO3
SMILES
COC(=O)C1=CC2=C(N1)C=C(O2)Br
InChI
InChI=1S/C8H6BrNO3/c1-12-8(11)5-2-6-4(10-5)3-7(9)13-6/h2-3,10H,1H3
InChIKey
SQJIVTFALTUOBG-UHFFFAOYSA-N
Compound name
methyl 2-bromo-4H-furo[3,2-b]pyrrole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.95311 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.96039 148.6
[M+Na]+ 265.94233 150.6
[M+NH4]+ 260.98693 152.4
[M+K]+ 281.91627 155.1
[M-H]- 241.94583 148.0
[M+Na-2H]- 263.92778 148.7
[M]+ 242.95256 147.3
[M]- 242.95366 147.3
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.