CID 163323416

6-bromo-2-fluoro-5-methylpyridin-3-amine

Structural Information

Molecular Formula
C6H6BrFN2
SMILES
CC1=CC(=C(N=C1Br)F)N
InChI
InChI=1S/C6H6BrFN2/c1-3-2-4(9)6(8)10-5(3)7/h2H,9H2,1H3
InChIKey
XSHBVXFEVZTUNN-UHFFFAOYSA-N
Compound name
6-bromo-2-fluoro-5-methylpyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.96983 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.977106 131.8
[M+Na]+ 226.959048 145.4
[M-H]- 202.962554 136.0
[M+NH4]+ 222.003653 153.3
[M+K]+ 242.932988 133.9
[M+H-H2O]+ 186.967090 130.7
[M+HCOO]- 248.968031 152.9
[M+CH3COO]- 262.983681 185.5
[M+Na-2H]- 224.944496 139.1
[M]+ 203.96928142 148.1
[M]- 203.97037858 148.1
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.