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

195
Patents

231.95352 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.96080 136.3
[M+Na]+ 254.94274 150.1
[M-H]- 230.94624 142.3
[M+NH4]+ 249.98734 158.5
[M+K]+ 270.91668 139.5
[M+H-H2O]+ 214.95078 136.1
[M+HCOO]- 276.95172 158.2
[M+CH3COO]- 290.96737 187.8
[M+Na-2H]- 252.92819 143.4
[M]+ 231.95297 156.5
[M]- 231.95407 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