CID 200206

3-phenylsydnone imine monohydrochloride

Structural Information

Molecular Formula
C8H8N3O
SMILES
C1=CC=C(C=C1)[N+]2=NOC(=C2)N
InChI
InChI=1S/C8H8N3O/c9-8-6-11(10-12-8)7-4-2-1-3-5-7/h1-6H,9H2/q+1
InChIKey
VSDJMJCFTRGYMO-UHFFFAOYSA-N
Compound name
3-phenyloxadiazol-3-ium-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

162.06674 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.07402 128.3
[M+Na]+ 185.05596 143.9
[M+NH4]+ 180.10056 137.8
[M+K]+ 201.02990 140.7
[M-H]- 161.05946 134.7
[M+Na-2H]- 183.04141 138.0
[M]+ 162.06619 132.6
[M]- 162.06729 132.6
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