CID 15673062

2-(benzyloxy)-4-bromobenzaldehyde

Structural Information

Molecular Formula
C14H11BrO2
SMILES
C1=CC=C(C=C1)COC2=C(C=CC(=C2)Br)C=O
InChI
InChI=1S/C14H11BrO2/c15-13-7-6-12(9-16)14(8-13)17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
MTCCBXXJEDZGIW-UHFFFAOYSA-N
Compound name
4-bromo-2-phenylmethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

289.99423 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.001506 155.6
[M+Na]+ 312.983448 167.0
[M-H]- 288.986954 164.9
[M+NH4]+ 308.028053 174.8
[M+K]+ 328.957388 155.5
[M+H-H2O]+ 272.991490 154.8
[M+HCOO]- 334.992431 178.0
[M+CH3COO]- 349.008081 197.0
[M+Na-2H]- 310.968896 163.0
[M]+ 289.99368142 176.1
[M]- 289.99477858 176.1
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