CID 164895097

2-bromo-3-chloro-6-fluoro-5-methylbenzaldehyde

Structural Information

Molecular Formula
C8H5BrClFO
SMILES
CC1=CC(=C(C(=C1F)C=O)Br)Cl
InChI
InChI=1S/C8H5BrClFO/c1-4-2-6(10)7(9)5(3-12)8(4)11/h2-3H,1H3
InChIKey
UOUDMDBKGLWFIM-UHFFFAOYSA-N
Compound name
2-bromo-3-chloro-6-fluoro-5-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.91963 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.92691 137.4
[M+Na]+ 272.90885 153.2
[M-H]- 248.91235 143.5
[M+NH4]+ 267.95345 160.1
[M+K]+ 288.88279 140.0
[M+H-H2O]+ 232.91689 138.4
[M+HCOO]- 294.91783 154.8
[M+CH3COO]- 308.93348 190.6
[M+Na-2H]- 270.89430 143.6
[M]+ 249.91908 158.3
[M]- 249.92018 158.3
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.