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-fluoropyridin-4-yl)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]+ 175.04329 131.8
[M+Na]+ 197.02523 141.7
[M-H]- 173.02873 132.7
[M+NH4]+ 192.06983 151.5
[M+K]+ 212.99917 137.7
[M+H-H2O]+ 157.03327 125.6
[M+HCOO]- 219.03421 149.5
[M+CH3COO]- 233.04986 181.7
[M+Na-2H]- 195.01068 136.7
[M]+ 174.03546 130.7
[M]- 174.03656 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