CID 234175

6265-53-8

Structural Information

Molecular Formula
C9H6N2O3
SMILES
C1=CC=C(C=C1)C2=C(C(=O)ON2)N=O
InChI
InChI=1S/C9H6N2O3/c12-9-8(10-13)7(11-14-9)6-4-2-1-3-5-6/h1-5,11H
InChIKey
ZYSBGNYJJJCEGU-UHFFFAOYSA-N
Compound name
4-nitroso-3-phenyl-2H-1,2-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

190.03784 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04512 134.1
[M+Na]+ 213.02706 144.3
[M-H]- 189.03056 141.3
[M+NH4]+ 208.07166 152.6
[M+K]+ 229.00100 142.9
[M+H-H2O]+ 173.03510 127.1
[M+HCOO]- 235.03604 160.9
[M+CH3COO]- 249.05169 181.2
[M+Na-2H]- 211.01251 142.2
[M]+ 190.03729 136.3
[M]- 190.03839 136.3
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