CID 21937

Delta(sup 2)-1,3,4-oxadiazoline, 2-(o-chlorophenyl)-5-imino-, hydrochloride, hydrate

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]+ 196.02722 138.5
[M+Na]+ 218.00916 148.7
[M-H]- 194.01266 143.5
[M+NH4]+ 213.05376 156.2
[M+K]+ 233.98310 145.3
[M+H-H2O]+ 178.01720 131.1
[M+HCOO]- 240.01814 157.3
[M+CH3COO]- 254.03379 152.2
[M+Na-2H]- 215.99461 145.1
[M]+ 195.01939 139.1
[M]- 195.02049 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.