CID 2757010

4-bromo-2-furaldehyde

Structural Information

Molecular Formula
C5H3BrO2
SMILES
C1=C(OC=C1Br)C=O
InChI
InChI=1S/C5H3BrO2/c6-4-1-5(2-7)8-3-4/h1-3H
InChIKey
MRGBBKQOSUHKPF-UHFFFAOYSA-N
Compound name
4-bromofuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

603
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

literature stripe

Patent stripe

patents stripe