CID 83900441

5-bromo-3,4-difluoro-2-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H5BrF2O2
SMILES
COC1=C(C(=C(C=C1C=O)Br)F)F
InChI
InChI=1S/C8H5BrF2O2/c1-13-8-4(3-12)2-5(9)6(10)7(8)11/h2-3H,1H3
InChIKey
WMWCALKOKFBIIA-UHFFFAOYSA-N
Compound name
5-bromo-3,4-difluoro-2-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.9441 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.95138 148.8
[M+Na]+ 272.93332 152.0
[M+NH4]+ 267.97792 152.3
[M+K]+ 288.90726 151.5
[M-H]- 248.93682 146.7
[M+Na-2H]- 270.91877 150.5
[M]+ 249.94355 147.4
[M]- 249.94465 147.4
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.