CID 22503568

2-bromofuran-3-carbaldehyde

Structural Information

Molecular Formula
C5H3BrO2
SMILES
C1=COC(=C1C=O)Br
InChI
InChI=1S/C5H3BrO2/c6-5-4(3-7)1-2-8-5/h1-3H
InChIKey
XITDMCVJWXMMCQ-UHFFFAOYSA-N
Compound name
2-bromofuran-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

173.93164 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.938916 125.3
[M+Na]+ 196.920858 138.9
[M-H]- 172.924364 132.9
[M+NH4]+ 191.965463 149.8
[M+K]+ 212.894798 130.4
[M+H-H2O]+ 156.928900 126.7
[M+HCOO]- 218.929841 149.1
[M+CH3COO]- 232.945491 174.7
[M+Na-2H]- 194.906306 134.6
[M]+ 173.93109142 146.0
[M]- 173.93218858 146.0
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

patents stripe