CID 18526182

875551-14-7

Structural Information

Molecular Formula
C9H7BrO2
SMILES
C1COC2=C1C=C(C=C2Br)C=O
InChI
InChI=1S/C9H7BrO2/c10-8-4-6(5-11)3-7-1-2-12-9(7)8/h3-5H,1-2H2
InChIKey
HJMQBGKEMMQBSW-UHFFFAOYSA-N
Compound name
7-bromo-2,3-dihydro-1-benzofuran-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

225.96294 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.970216 141.0
[M+Na]+ 248.952158 154.0
[M-H]- 224.955664 149.2
[M+NH4]+ 243.996763 164.6
[M+K]+ 264.926098 144.5
[M+H-H2O]+ 208.960200 142.3
[M+HCOO]- 270.961141 162.1
[M+CH3COO]- 284.976791 184.9
[M+Na-2H]- 246.937606 149.1
[M]+ 225.96239142 161.1
[M]- 225.96348858 161.1
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