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 139.5
[M+Na]+ 272.93332 154.1
[M-H]- 248.93682 144.4
[M+NH4]+ 267.97792 161.2
[M+K]+ 288.90726 143.0
[M+H-H2O]+ 232.94136 138.5
[M+HCOO]- 294.94230 160.3
[M+CH3COO]- 308.95795 191.5
[M+Na-2H]- 270.91877 145.3
[M]+ 249.94355 158.8
[M]- 249.94465 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

No patent data available for this compound.