CID 15037056

5-bromofuran-3-carbaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

173.93164 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.93892 125.3
[M+Na]+ 196.92086 138.9
[M-H]- 172.92436 132.9
[M+NH4]+ 191.96546 149.8
[M+K]+ 212.89480 130.4
[M+H-H2O]+ 156.92890 126.7
[M+HCOO]- 218.92984 149.1
[M+CH3COO]- 232.94549 174.7
[M+Na-2H]- 194.90631 134.6
[M]+ 173.93109 146.0
[M]- 173.93219 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