CID 84785897

5-bromo-3-fluoro-2,4-dimethylaniline

Structural Information

Molecular Formula
C8H9BrFN
SMILES
CC1=C(C(=C(C=C1N)Br)C)F
InChI
InChI=1S/C8H9BrFN/c1-4-6(9)3-7(11)5(2)8(4)10/h3H,11H2,1-2H3
InChIKey
ABBGLNUNMZYCGA-UHFFFAOYSA-N
Compound name
5-bromo-3-fluoro-2,4-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.99023 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.997506 137.4
[M+Na]+ 239.979448 151.0
[M-H]- 215.982954 143.0
[M+NH4]+ 235.024053 159.9
[M+K]+ 255.953388 139.1
[M+H-H2O]+ 199.987490 136.8
[M+HCOO]- 261.988431 158.8
[M+CH3COO]- 276.004081 189.8
[M+Na-2H]- 237.964896 142.8
[M]+ 216.98968142 154.0
[M]- 216.99077858 154.0
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.