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

No literature data available for this compound.

Patent stripe

patents stripe