CID 82005024

5-chloro-2-(2,2-difluoroethoxy)pyridin-3-amine

Structural Information

Molecular Formula
C7H7ClF2N2O
SMILES
C1=C(C=NC(=C1N)OCC(F)F)Cl
InChI
InChI=1S/C7H7ClF2N2O/c8-4-1-5(11)7(12-2-4)13-3-6(9)10/h1-2,6H,3,11H2
InChIKey
IDUVFYUCALQEML-UHFFFAOYSA-N
Compound name
5-chloro-2-(2,2-difluoroethoxy)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.0215 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.02878 136.6
[M+Na]+ 231.01072 146.5
[M-H]- 207.01422 136.2
[M+NH4]+ 226.05532 154.8
[M+K]+ 246.98466 142.6
[M+H-H2O]+ 191.01876 129.2
[M+HCOO]- 253.01970 153.5
[M+CH3COO]- 267.03535 186.5
[M+Na-2H]- 228.99617 141.0
[M]+ 208.02095 135.9
[M]- 208.02205 135.9
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

No patent data available for this compound.