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]+ 209.028776 136.6
[M+Na]+ 231.010718 146.5
[M-H]- 207.014224 136.2
[M+NH4]+ 226.055323 154.8
[M+K]+ 246.984658 142.6
[M+H-H2O]+ 191.018760 129.2
[M+HCOO]- 253.019701 153.5
[M+CH3COO]- 267.035351 186.5
[M+Na-2H]- 228.996166 141.0
[M]+ 208.02095142 135.9
[M]- 208.02204858 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.