CID 103436606

N2-(2,6-difluorophenyl)-1,3,4-oxadiazole-2,5-diamine

Structural Information

Molecular Formula
C8H6F2N4O
SMILES
C1=CC(=C(C(=C1)F)NC2=NN=C(O2)N)F
InChI
InChI=1S/C8H6F2N4O/c9-4-2-1-3-5(10)6(4)12-8-14-13-7(11)15-8/h1-3H,(H2,11,13)(H,12,14)
InChIKey
PHZSWNNPIZKQGG-UHFFFAOYSA-N
Compound name
2-N-(2,6-difluorophenyl)-1,3,4-oxadiazole-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.05096 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.058236 139.6
[M+Na]+ 235.040178 150.0
[M-H]- 211.043684 142.4
[M+NH4]+ 230.084783 155.5
[M+K]+ 251.014118 147.2
[M+H-H2O]+ 195.048220 129.7
[M+HCOO]- 257.049161 162.7
[M+CH3COO]- 271.064811 189.4
[M+Na-2H]- 233.025626 145.5
[M]+ 212.05041142 137.1
[M]- 212.05150858 137.1
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.