CID 11424125

4-(4-chlorophenyl)-2,3-dihydro-1,3-oxazol-2-one

Structural Information

Molecular Formula
C9H6ClNO2
SMILES
C1=CC(=CC=C1C2=COC(=O)N2)Cl
InChI
InChI=1S/C9H6ClNO2/c10-7-3-1-6(2-4-7)8-5-13-9(12)11-8/h1-5H,(H,11,12)
InChIKey
CKBZKDNZRNRXGW-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-3H-1,3-oxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

195.00871 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.01599 135.8
[M+Na]+ 217.99793 147.0
[M-H]- 194.00143 141.3
[M+NH4]+ 213.04253 154.7
[M+K]+ 233.97187 143.0
[M+H-H2O]+ 178.00597 130.0
[M+HCOO]- 240.00691 154.8
[M+CH3COO]- 254.02256 150.2
[M+Na-2H]- 215.98338 142.3
[M]+ 195.00816 138.1
[M]- 195.00926 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