CID 600328

5-bromo-2-furaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1527
Patents

173.93164 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.93892 128.5
[M+Na]+ 196.92086 131.6
[M+NH4]+ 191.96546 133.6
[M+K]+ 212.89480 133.7
[M-H]- 172.92436 129.5
[M+Na-2H]- 194.90631 131.2
[M]+ 173.93109 128.0
[M]- 173.93219 128.0
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