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

0
Patents

261.9396 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.94688 142.9
[M+Na]+ 284.92882 156.5
[M-H]- 260.93232 149.5
[M+NH4]+ 279.97342 164.7
[M+K]+ 300.90276 143.9
[M+H-H2O]+ 244.93686 144.1
[M+HCOO]- 306.93780 161.2
[M+CH3COO]- 320.95345 190.6
[M+Na-2H]- 282.91427 150.5
[M]+ 261.93905 166.0
[M]- 261.94015 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

No patent data available for this compound.