CID 243037

5585-14-8

Structural Information

Molecular Formula
C14H10N2O2
SMILES
C1=CC=C(C=C1)C2=NO[N+](=C2C3=CC=CC=C3)[O-]
InChI
InChI=1S/C14H10N2O2/c17-16-14(12-9-5-2-6-10-12)13(15-18-16)11-7-3-1-4-8-11/h1-10H
InChIKey
KDARYXSKPCAXJL-UHFFFAOYSA-N
Compound name
2-oxido-3,4-diphenyl-1,2,5-oxadiazol-2-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

18
Patents

238.07423 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.08151 151.1
[M+Na]+ 261.06345 159.6
[M-H]- 237.06695 158.2
[M+NH4]+ 256.10805 165.0
[M+K]+ 277.03739 151.6
[M+H-H2O]+ 221.07149 146.7
[M+HCOO]- 283.07243 173.3
[M+CH3COO]- 297.08808 180.2
[M+Na-2H]- 259.04890 159.6
[M]+ 238.07368 149.5
[M]- 238.07478 149.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe