CID 86101274

6-chloro-4-(4-fluoro-2-methylphenyl)pyridin-3-amine hydrochloride

Structural Information

Molecular Formula
C12H10ClFN2
SMILES
CC1=C(C=CC(=C1)F)C2=CC(=NC=C2N)Cl
InChI
InChI=1S/C12H10ClFN2/c1-7-4-8(14)2-3-9(7)10-5-12(13)16-6-11(10)15/h2-6H,15H2,1H3
InChIKey
UBHMOCPFHJWSDZ-UHFFFAOYSA-N
Compound name
6-chloro-4-(4-fluoro-2-methylphenyl)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

236.05165 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.058926 148.9
[M+Na]+ 259.040868 160.2
[M-H]- 235.044374 153.3
[M+NH4]+ 254.085473 166.4
[M+K]+ 275.014808 153.9
[M+H-H2O]+ 219.048910 141.2
[M+HCOO]- 281.049851 167.3
[M+CH3COO]- 295.065501 193.8
[M+Na-2H]- 257.026316 153.4
[M]+ 236.05110142 148.8
[M]- 236.05219858 148.8
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

patents stripe