CID 43313225

2-(4-bromophenoxy)-5-fluorobenzaldehyde

Structural Information

Molecular Formula
C13H8BrFO2
SMILES
C1=CC(=CC=C1OC2=C(C=C(C=C2)F)C=O)Br
InChI
InChI=1S/C13H8BrFO2/c14-10-1-4-12(5-2-10)17-13-6-3-11(15)7-9(13)8-16/h1-8H
InChIKey
BABAQHLJAZHRNY-UHFFFAOYSA-N
Compound name
2-(4-bromophenoxy)-5-fluorobenzaldehyde
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]+ 294.97646 154.6
[M+Na]+ 316.95840 167.3
[M-H]- 292.96190 163.1
[M+NH4]+ 312.00300 173.9
[M+K]+ 332.93234 155.6
[M+H-H2O]+ 276.96644 153.1
[M+HCOO]- 338.96738 176.3
[M+CH3COO]- 352.98303 197.8
[M+Na-2H]- 314.94385 161.2
[M]+ 293.96863 174.1
[M]- 293.96973 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

No patent data available for this compound.