CID 103437125

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

Structural Information

Molecular Formula
C8H5F3N4O
SMILES
C1=C(C=C(C(=C1F)NC2=NN=C(O2)N)F)F
InChI
InChI=1S/C8H5F3N4O/c9-3-1-4(10)6(5(11)2-3)13-8-15-14-7(12)16-8/h1-2H,(H2,12,14)(H,13,15)
InChIKey
GJPPRPOXICBESD-UHFFFAOYSA-N
Compound name
2-N-(2,4,6-trifluorophenyl)-1,3,4-oxadiazole-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.04155 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.048826 142.8
[M+Na]+ 253.030768 154.1
[M-H]- 229.034274 144.6
[M+NH4]+ 248.075373 158.2
[M+K]+ 269.004708 150.9
[M+H-H2O]+ 213.038810 132.2
[M+HCOO]- 275.039751 164.8
[M+CH3COO]- 289.055401 193.4
[M+Na-2H]- 251.016216 147.3
[M]+ 230.04100142 139.5
[M]- 230.04209858 139.5
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.