CID 72206875

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

Structural Information

Molecular Formula
C8H5BrF2O
SMILES
CC1=C(C(=CC(=C1F)Br)C=O)F
InChI
InChI=1S/C8H5BrF2O/c1-4-7(10)5(3-12)2-6(9)8(4)11/h2-3H,1H3
InChIKey
WTFZCNWVXZOGRC-UHFFFAOYSA-N
Compound name
5-bromo-2,4-difluoro-3-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.94917 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.95645 145.4
[M+Na]+ 256.93839 149.1
[M+NH4]+ 251.98299 149.4
[M+K]+ 272.91233 148.2
[M-H]- 232.94189 143.8
[M+Na-2H]- 254.92384 147.7
[M]+ 233.94862 144.3
[M]- 233.94972 144.3
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.