CID 129919458

6-chloro-5-fluoro-n-methylpyridin-3-amine

Structural Information

Molecular Formula
C6H6ClFN2
SMILES
CNC1=CC(=C(N=C1)Cl)F
InChI
InChI=1S/C6H6ClFN2/c1-9-4-2-5(8)6(7)10-3-4/h2-3,9H,1H3
InChIKey
ZVBIKZLBQNTLNA-UHFFFAOYSA-N
Compound name
6-chloro-5-fluoro-N-methylpyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

160.02036 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.02764 126.5
[M+Na]+ 183.00958 137.0
[M-H]- 159.01308 127.9
[M+NH4]+ 178.05418 147.0
[M+K]+ 198.98352 133.3
[M+H-H2O]+ 143.01762 120.3
[M+HCOO]- 205.01856 146.1
[M+CH3COO]- 219.03421 178.5
[M+Na-2H]- 180.99503 134.2
[M]+ 160.01981 126.6
[M]- 160.02091 126.6
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

patents stripe