CID 154577028

3-bromo-2-fluoro-n,n-dimethylpyridin-4-amine

Structural Information

Molecular Formula
C7H8BrFN2
SMILES
CN(C)C1=C(C(=NC=C1)F)Br
InChI
InChI=1S/C7H8BrFN2/c1-11(2)5-3-4-10-7(9)6(5)8/h3-4H,1-2H3
InChIKey
LPKWMQOVUAANKZ-UHFFFAOYSA-N
Compound name
3-bromo-2-fluoro-N,N-dimethylpyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.98549 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.992766 135.4
[M+Na]+ 240.974708 148.0
[M-H]- 216.978214 141.1
[M+NH4]+ 236.019313 157.0
[M+K]+ 256.948648 137.9
[M+H-H2O]+ 200.982750 133.9
[M+HCOO]- 262.983691 157.3
[M+CH3COO]- 276.999341 191.2
[M+Na-2H]- 238.960156 143.3
[M]+ 217.98494142 153.8
[M]- 217.98603858 153.8
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.