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]+ 217.99751 137.4
[M+Na]+ 239.97945 151.0
[M-H]- 215.98295 143.0
[M+NH4]+ 235.02405 159.9
[M+K]+ 255.95339 139.1
[M+H-H2O]+ 199.98749 136.8
[M+HCOO]- 261.98843 158.8
[M+CH3COO]- 276.00408 189.8
[M+Na-2H]- 237.96490 142.8
[M]+ 216.98968 154.0
[M]- 216.99078 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.