CID 21937

5711-56-8

Structural Information

Molecular Formula
C8H6ClN3O
SMILES
C1=CC=C(C(=C1)C2N=NC(=N)O2)Cl
InChI
InChI=1S/C8H6ClN3O/c9-6-4-2-1-3-5(6)7-11-12-8(10)13-7/h1-4,7,10H
InChIKey
BFIXUBSBTIMGEX-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-2H-1,3,4-oxadiazol-5-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.01994 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.027216 138.5
[M+Na]+ 218.009158 148.7
[M-H]- 194.012664 143.5
[M+NH4]+ 213.053763 156.2
[M+K]+ 233.983098 145.3
[M+H-H2O]+ 178.017200 131.1
[M+HCOO]- 240.018141 157.3
[M+CH3COO]- 254.033791 152.2
[M+Na-2H]- 215.994606 145.1
[M]+ 195.01939142 139.1
[M]- 195.02048858 139.1
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.