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

35
Patents

236.05165 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.05893 148.9
[M+Na]+ 259.04087 160.2
[M-H]- 235.04437 153.3
[M+NH4]+ 254.08547 166.4
[M+K]+ 275.01481 153.9
[M+H-H2O]+ 219.04891 141.2
[M+HCOO]- 281.04985 167.3
[M+CH3COO]- 295.06550 193.8
[M+Na-2H]- 257.02632 153.4
[M]+ 236.05110 148.8
[M]- 236.05220 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