CID 1490877

2-(4-bromo-2-fluorophenoxy)benzaldehyde

Structural Information

Molecular Formula
C13H8BrFO2
SMILES
C1=CC=C(C(=C1)C=O)OC2=C(C=C(C=C2)Br)F
InChI
InChI=1S/C13H8BrFO2/c14-10-5-6-13(11(15)7-10)17-12-4-2-1-3-9(12)8-16/h1-8H
InChIKey
BFGMNJVBGLRRFI-UHFFFAOYSA-N
Compound name
2-(4-bromo-2-fluorophenoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.96918 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.976456 154.6
[M+Na]+ 316.958398 167.3
[M-H]- 292.961904 163.1
[M+NH4]+ 312.003003 173.9
[M+K]+ 332.932338 155.6
[M+H-H2O]+ 276.966440 153.1
[M+HCOO]- 338.967381 176.3
[M+CH3COO]- 352.983031 197.8
[M+Na-2H]- 314.943846 161.2
[M]+ 293.96863142 174.1
[M]- 293.96972858 174.1
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