CID 14665029

5-(difluoromethoxy)pyridin-2-amine

Structural Information

Molecular Formula
C6H6F2N2O
SMILES
C1=CC(=NC=C1OC(F)F)N
InChI
InChI=1S/C6H6F2N2O/c7-6(8)11-4-1-2-5(9)10-3-4/h1-3,6H,(H2,9,10)
InChIKey
QEHHJHZTKDEXIC-UHFFFAOYSA-N
Compound name
5-(difluoromethoxy)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

160.04482 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.05210 127.3
[M+Na]+ 183.03404 135.9
[M-H]- 159.03754 126.9
[M+NH4]+ 178.07864 146.3
[M+K]+ 199.00798 134.3
[M+H-H2O]+ 143.04208 119.1
[M+HCOO]- 205.04302 149.1
[M+CH3COO]- 219.05867 178.5
[M+Na-2H]- 181.01949 133.3
[M]+ 160.04427 123.8
[M]- 160.04537 123.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe