CID 71756025

4-(2-bromoethoxy)-3-chlorobenzaldehyde

Structural Information

Molecular Formula
C9H8BrClO2
SMILES
C1=CC(=C(C=C1C=O)Cl)OCCBr
InChI
InChI=1S/C9H8BrClO2/c10-3-4-13-9-2-1-7(6-12)5-8(9)11/h1-2,5-6H,3-4H2
InChIKey
CGQIAJMBRLPDTP-UHFFFAOYSA-N
Compound name
4-(2-bromoethoxy)-3-chlorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

261.9396 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.946876 142.9
[M+Na]+ 284.928818 156.5
[M-H]- 260.932324 149.5
[M+NH4]+ 279.973423 164.7
[M+K]+ 300.902758 143.9
[M+H-H2O]+ 244.936860 144.1
[M+HCOO]- 306.937801 161.2
[M+CH3COO]- 320.953451 190.6
[M+Na-2H]- 282.914266 150.5
[M]+ 261.93905142 166.0
[M]- 261.94014858 166.0
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