CID 262706

4-(2-bromoethoxy)benzaldehyde

Structural Information

Molecular Formula
C9H9BrO2
SMILES
C1=CC(=CC=C1C=O)OCCBr
InChI
InChI=1S/C9H9BrO2/c10-5-6-12-9-3-1-8(7-11)2-4-9/h1-4,7H,5-6H2
InChIKey
XFHTVCMRNSBQCF-UHFFFAOYSA-N
Compound name
4-(2-bromoethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

310
Patents

227.97859 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.98587 138.8
[M+Na]+ 250.96781 150.4
[M-H]- 226.97131 145.1
[M+NH4]+ 246.01241 160.6
[M+K]+ 266.94175 140.0
[M+H-H2O]+ 210.97585 139.0
[M+HCOO]- 272.97679 161.4
[M+CH3COO]- 286.99244 186.0
[M+Na-2H]- 248.95326 147.3
[M]+ 227.97804 159.7
[M]- 227.97914 159.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe