CID 84716660

6-(1,1-difluoroethyl)pyridin-3-amine

Structural Information

Molecular Formula
C7H8F2N2
SMILES
CC(C1=NC=C(C=C1)N)(F)F
InChI
InChI=1S/C7H8F2N2/c1-7(8,9)6-3-2-5(10)4-11-6/h2-4H,10H2,1H3
InChIKey
FENAVCPETHIHRB-UHFFFAOYSA-N
Compound name
6-(1,1-difluoroethyl)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

158.06555 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.07283 129.1
[M+Na]+ 181.05477 138.0
[M-H]- 157.05827 128.8
[M+NH4]+ 176.09937 148.4
[M+K]+ 197.02871 135.6
[M+H-H2O]+ 141.06281 121.5
[M+HCOO]- 203.06375 149.7
[M+CH3COO]- 217.07940 178.9
[M+Na-2H]- 179.04022 136.4
[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