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]+ 161.027636 126.5
[M+Na]+ 183.009578 137.0
[M-H]- 159.013084 127.9
[M+NH4]+ 178.054183 147.0
[M+K]+ 198.983518 133.3
[M+H-H2O]+ 143.017620 120.3
[M+HCOO]- 205.018561 146.1
[M+CH3COO]- 219.034211 178.5
[M+Na-2H]- 180.995026 134.2
[M]+ 160.01981142 126.6
[M]- 160.02090858 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