CID 18174947

14723-58-1

Structural Information

Molecular Formula
C9H6ClNO2
SMILES
C1=CC(=CC=C1C2=CC(=O)NO2)Cl
InChI
InChI=1S/C9H6ClNO2/c10-7-3-1-6(2-4-7)8-5-9(12)11-13-8/h1-5H,(H,11,12)
InChIKey
DLYXFWMNCVTAMQ-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-1,2-oxazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

35
Patents

195.00871 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.015986 135.8
[M+Na]+ 217.997928 147.0
[M-H]- 194.001434 141.3
[M+NH4]+ 213.042533 154.7
[M+K]+ 233.971868 143.0
[M+H-H2O]+ 178.005970 130.0
[M+HCOO]- 240.006911 154.8
[M+CH3COO]- 254.022561 150.2
[M+Na-2H]- 215.983376 142.3
[M]+ 195.00816142 138.1
[M]- 195.00925858 138.1
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