CID 57442210

4-bromo-2-fluoro-6-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H6BrFO2
SMILES
COC1=C(C(=CC(=C1)Br)F)C=O
InChI
InChI=1S/C8H6BrFO2/c1-12-8-3-5(9)2-7(10)6(8)4-11/h2-4H,1H3
InChIKey
RJWZBFAJSYHLOU-UHFFFAOYSA-N
Compound name
4-bromo-2-fluoro-6-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
Patents

231.95352 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.960796 136.3
[M+Na]+ 254.942738 150.1
[M-H]- 230.946244 142.3
[M+NH4]+ 249.987343 158.5
[M+K]+ 270.916678 139.5
[M+H-H2O]+ 214.950780 136.1
[M+HCOO]- 276.951721 158.2
[M+CH3COO]- 290.967371 187.8
[M+Na-2H]- 252.928186 143.4
[M]+ 231.95297142 156.5
[M]- 231.95406858 156.5
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