CID 199182

Sydnone, 4-nitro-3-(o-tolyl)-

Structural Information

Molecular Formula
C9H8N3O4
SMILES
CC1=CC=CC=C1[N+]2=C(C(=O)ON2)[N+](=O)[O-]
InChI
InChI=1S/C9H7N3O4/c1-6-4-2-3-5-7(6)11-8(12(14)15)9(13)16-10-11/h2-5H,1H3/p+1
InChIKey
ZXGVQOFIHXZHTJ-UHFFFAOYSA-O
Compound name
3-(2-methylphenyl)-4-nitro-2H-oxadiazol-3-ium-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

222.05148 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05876 143.7
[M+Na]+ 245.04070 159.5
[M+NH4]+ 240.08530 151.1
[M+K]+ 261.01464 160.0
[M-H]- 221.04420 149.1
[M+Na-2H]- 243.02615 150.6
[M]+ 222.05093 147.6
[M]- 222.05203 147.6
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.