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]+ 243.960386 144.6
[M+Na]+ 265.942328 158.9
[M-H]- 241.945834 151.1
[M+NH4]+ 260.986933 167.3
[M+K]+ 281.916268 149.8
[M+H-H2O]+ 225.950370 145.6
[M+HCOO]- 287.951311 166.0
[M+CH3COO]- 301.966961 184.1
[M+Na-2H]- 263.927776 150.9
[M]+ 242.95256142 167.0
[M]- 242.95365858 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.