CID 1494337

2-(benzyloxy)-3,5-dibromobenzaldehyde

Structural Information

Molecular Formula
C14H10Br2O2
SMILES
C1=CC=C(C=C1)COC2=C(C=C(C=C2Br)Br)C=O
InChI
InChI=1S/C14H10Br2O2/c15-12-6-11(8-17)14(13(16)7-12)18-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKey
AACUFLFOQQDBBB-UHFFFAOYSA-N
Compound name
3,5-dibromo-2-phenylmethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

367.90475 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.91203 156.2
[M+Na]+ 390.89397 166.8
[M-H]- 366.89747 165.3
[M+NH4]+ 385.93857 173.1
[M+K]+ 406.86791 151.6
[M+H-H2O]+ 350.90201 163.7
[M+HCOO]- 412.90295 172.9
[M+CH3COO]- 426.91860 212.9
[M+Na-2H]- 388.87942 162.5
[M]+ 367.90420 191.9
[M]- 367.90530 191.9
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