CID 199186

Sydnone, 3-(p-chlorophenyl)-4-phenyl-

Structural Information

Molecular Formula
C14H10ClN2O2
SMILES
C1=CC=C(C=C1)C2=[N+](NOC2=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H9ClN2O2/c15-11-6-8-12(9-7-11)17-13(14(18)19-16-17)10-4-2-1-3-5-10/h1-9H/p+1
InChIKey
SVTPHHFBWMHXOU-UHFFFAOYSA-O
Compound name
3-(4-chlorophenyl)-4-phenyl-2H-oxadiazol-3-ium-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0431 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.05038 160.5
[M+Na]+ 296.03232 171.2
[M-H]- 272.03582 167.8
[M+NH4]+ 291.07692 174.1
[M+K]+ 312.00626 160.1
[M+H-H2O]+ 256.04036 154.7
[M+HCOO]- 318.04130 177.2
[M+CH3COO]- 332.05695 184.6
[M+Na-2H]- 294.01777 167.7
[M]+ 273.04255 161.6
[M]- 273.04365 161.6
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

No patent data available for this compound.