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

5
Patents

212.05096 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.05824 140.3
[M+Na]+ 235.04018 150.4
[M-H]- 211.04368 141.5
[M+NH4]+ 230.08478 154.8
[M+K]+ 251.01412 148.0
[M+H-H2O]+ 195.04822 129.8
[M+HCOO]- 257.04916 160.1
[M+CH3COO]- 271.06481 152.7
[M+Na-2H]- 233.02563 145.2
[M]+ 212.05041 138.0
[M]- 212.05151 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