CID 150590039

5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine

Structural Information

Molecular Formula
C8H6F2N4O
SMILES
C1=CC(=NC=C1C2=NN=C(O2)C(F)F)N
InChI
InChI=1S/C8H6F2N4O/c9-6(10)8-14-13-7(15-8)4-1-2-5(11)12-3-4/h1-3,6H,(H2,11,12)
InChIKey
IPRDMAFZXOEPPJ-UHFFFAOYSA-N
Compound name
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

212.05096 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.058236 140.3
[M+Na]+ 235.040178 150.4
[M-H]- 211.043684 141.5
[M+NH4]+ 230.084783 154.8
[M+K]+ 251.014118 148.0
[M+H-H2O]+ 195.048220 129.8
[M+HCOO]- 257.049161 160.1
[M+CH3COO]- 271.064811 152.7
[M+Na-2H]- 233.025626 145.2
[M]+ 212.05041142 138.0
[M]- 212.05150858 138.0
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