CID 53440841

2-(5-chloropyridin-2-yl)-2,2-difluoroethan-1-amine hydrochloride

Structural Information

Molecular Formula
C7H7ClF2N2
SMILES
C1=CC(=NC=C1Cl)C(CN)(F)F
InChI
InChI=1S/C7H7ClF2N2/c8-5-1-2-6(12-3-5)7(9,10)4-11/h1-3H,4,11H2
InChIKey
DDWZLKUNZRDCKA-UHFFFAOYSA-N
Compound name
2-(5-chloropyridin-2-yl)-2,2-difluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

192.02658 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.03386 134.6
[M+Na]+ 215.01580 144.3
[M-H]- 191.01930 134.0
[M+NH4]+ 210.06040 153.3
[M+K]+ 230.98974 139.8
[M+H-H2O]+ 175.02384 127.6
[M+HCOO]- 237.02478 150.6
[M+CH3COO]- 251.04043 182.8
[M+Na-2H]- 213.00125 141.5
[M]+ 192.02603 132.1
[M]- 192.02713 132.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe