CID 122230439

N-(2,2-difluoroethyl)pyridin-3-amine

Structural Information

Molecular Formula
C7H8F2N2
SMILES
C1=CC(=CN=C1)NCC(F)F
InChI
InChI=1S/C7H8F2N2/c8-7(9)5-11-6-2-1-3-10-4-6/h1-4,7,11H,5H2
InChIKey
JCRZUJFKLUOXSC-UHFFFAOYSA-N
Compound name
N-(2,2-difluoroethyl)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

158.06555 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.07283 128.5
[M+Na]+ 181.05477 135.7
[M-H]- 157.05827 128.0
[M+NH4]+ 176.09937 147.5
[M+K]+ 197.02871 133.7
[M+H-H2O]+ 141.06281 119.9
[M+HCOO]- 203.06375 150.3
[M+CH3COO]- 217.07940 179.0
[M+Na-2H]- 179.04022 135.8
[M]+ 158.06500 124.5
[M]- 158.06610 124.5
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

patents stripe