CID 83349966

1-(2-chloro-3-fluoropyridin-4-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C7H8ClFN2
SMILES
CC(C1=C(C(=NC=C1)Cl)F)N
InChI
InChI=1S/C7H8ClFN2/c1-4(10)5-2-3-11-7(8)6(5)9/h2-4H,10H2,1H3
InChIKey
OTVJSBROTPNWLA-UHFFFAOYSA-N
Compound name
1-(2-chloro-3-fluoro-4-pyridinyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 131.8
[M+Na]+ 197.025228 141.7
[M-H]- 173.028734 132.7
[M+NH4]+ 192.069833 151.5
[M+K]+ 212.999168 137.7
[M+H-H2O]+ 157.033270 125.6
[M+HCOO]- 219.034211 149.5
[M+CH3COO]- 233.049861 181.7
[M+Na-2H]- 195.010676 136.7
[M]+ 174.03546142 130.7
[M]- 174.03655858 130.7
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