CID 118540061

5-chloro-6-(difluoromethoxy)pyridin-3-amine

Structural Information

Molecular Formula
C6H5ClF2N2O
SMILES
C1=C(C=NC(=C1Cl)OC(F)F)N
InChI
InChI=1S/C6H5ClF2N2O/c7-4-1-3(10)2-11-5(4)12-6(8)9/h1-2,6H,10H2
InChIKey
UGSWTAHGXMVYAH-UHFFFAOYSA-N
Compound name
5-chloro-6-(difluoromethoxy)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

194.00584 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.013116 131.9
[M+Na]+ 216.995058 142.2
[M-H]- 192.998564 131.6
[M+NH4]+ 212.039663 150.7
[M+K]+ 232.968998 138.6
[M+H-H2O]+ 177.003100 124.7
[M+HCOO]- 239.004041 149.2
[M+CH3COO]- 253.019691 183.5
[M+Na-2H]- 214.980506 136.8
[M]+ 194.00529142 130.8
[M]- 194.00638858 130.8
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