CID 53212596

1283480-14-7

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 144.6
[M+Na]+ 265.94233 158.9
[M-H]- 241.94583 151.1
[M+NH4]+ 260.98693 167.3
[M+K]+ 281.91627 149.8
[M+H-H2O]+ 225.95037 145.6
[M+HCOO]- 287.95131 166.0
[M+CH3COO]- 301.96696 184.1
[M+Na-2H]- 263.92778 150.9
[M]+ 242.95256 167.0
[M]- 242.95366 167.0
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.