CID 90457451

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

Structural Information

Molecular Formula
C8H5BrF2O2
SMILES
COC1=CC(=C(C(=C1F)F)C=O)Br
InChI
InChI=1S/C8H5BrF2O2/c1-13-6-2-5(9)4(3-12)7(10)8(6)11/h2-3H,1H3
InChIKey
WNTXILXPAULAOC-UHFFFAOYSA-N
Compound name
6-bromo-2,3-difluoro-4-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

249.9441 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.951376 139.5
[M+Na]+ 272.933318 154.1
[M-H]- 248.936824 144.4
[M+NH4]+ 267.977923 161.2
[M+K]+ 288.907258 143.0
[M+H-H2O]+ 232.941360 138.5
[M+HCOO]- 294.942301 160.3
[M+CH3COO]- 308.957951 191.5
[M+Na-2H]- 270.918766 145.3
[M]+ 249.94355142 158.8
[M]- 249.94464858 158.8
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