CID 72211745

(2-chloro-5-fluoropyridin-3-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C6H6ClFN2
SMILES
C1=C(C=NC(=C1CN)Cl)F
InChI
InChI=1S/C6H6ClFN2/c7-6-4(2-9)1-5(8)3-10-6/h1,3H,2,9H2
InChIKey
ZVHCOUATUMIIIL-UHFFFAOYSA-N
Compound name
(2-chloro-5-fluoropyridin-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

160.02036 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.02764 125.7
[M+Na]+ 183.00958 139.0
[M+NH4]+ 178.05418 134.4
[M+K]+ 198.98352 132.3
[M-H]- 159.01308 127.0
[M+Na-2H]- 180.99503 133.1
[M]+ 160.01981 128.1
[M]- 160.02091 128.1
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