CID 1494338

4-(benzyloxy)-3-bromobenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

213
Patents

289.99423 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.00151 155.6
[M+Na]+ 312.98345 167.0
[M-H]- 288.98695 164.9
[M+NH4]+ 308.02805 174.8
[M+K]+ 328.95739 155.5
[M+H-H2O]+ 272.99149 154.8
[M+HCOO]- 334.99243 178.0
[M+CH3COO]- 349.00808 197.0
[M+Na-2H]- 310.96890 163.0
[M]+ 289.99368 176.1
[M]- 289.99478 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