CID 3016419

2-bromo-5-ethoxybenzaldehyde

Structural Information

Molecular Formula
C9H9BrO2
SMILES
CCOC1=CC(=C(C=C1)Br)C=O
InChI
InChI=1S/C9H9BrO2/c1-2-12-8-3-4-9(10)7(5-8)6-11/h3-6H,2H2,1H3
InChIKey
HXFMXRXUSOYTGF-UHFFFAOYSA-N
Compound name
2-bromo-5-ethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

227.97859 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.98587 139.1
[M+Na]+ 250.96781 143.3
[M+NH4]+ 246.01241 144.1
[M+K]+ 266.94175 142.7
[M-H]- 226.97131 139.8
[M+Na-2H]- 248.95326 143.1
[M]+ 227.97804 138.7
[M]- 227.97914 138.7
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