CID 155977845

1-(6-chloro-3-fluoro-5-methylpyridin-2-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C7H8ClFN2
SMILES
CC1=CC(=C(N=C1Cl)CN)F
InChI
InChI=1S/C7H8ClFN2/c1-4-2-5(9)6(3-10)11-7(4)8/h2H,3,10H2,1H3
InChIKey
IBIDWJXYQFVTDV-UHFFFAOYSA-N
Compound name
(6-chloro-3-fluoro-5-methyl-2-pyridinyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.03601 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.043286 131.6
[M+Na]+ 197.025228 142.7
[M-H]- 173.028734 132.8
[M+NH4]+ 192.069833 151.7
[M+K]+ 212.999168 138.4
[M+H-H2O]+ 157.033270 125.6
[M+HCOO]- 219.034211 150.3
[M+CH3COO]- 233.049861 182.0
[M+Na-2H]- 195.010676 137.0
[M]+ 174.03546142 131.5
[M]- 174.03655858 131.5
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.