CID 20119160

5-(2-chloro-6-fluorophenyl)-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C8H5ClFN3O
SMILES
C1=CC(=C(C(=C1)Cl)C2=NN=C(O2)N)F
InChI
InChI=1S/C8H5ClFN3O/c9-4-2-1-3-5(10)6(4)7-12-13-8(11)14-7/h1-3H,(H2,11,13)
InChIKey
OWAYIIRZEKFZKG-UHFFFAOYSA-N
Compound name
5-(2-chloro-6-fluorophenyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.01051 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.01779 140.3
[M+Na]+ 235.99973 152.1
[M-H]- 212.00323 144.1
[M+NH4]+ 231.04433 157.4
[M+K]+ 251.97367 148.2
[M+H-H2O]+ 196.00777 132.1
[M+HCOO]- 258.00871 158.6
[M+CH3COO]- 272.02436 154.0
[M+Na-2H]- 233.98518 145.6
[M]+ 213.00996 141.4
[M]- 213.01106 141.4
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.