CID 473035

6-(3-chlorobenzoyl)-3h-1,3-benzoxazol-2-one

Structural Information

Molecular Formula
C14H8ClNO3
SMILES
C1=CC(=CC(=C1)Cl)C(=O)C2=CC3=C(C=C2)NC(=O)O3
InChI
InChI=1S/C14H8ClNO3/c15-10-3-1-2-8(6-10)13(17)9-4-5-11-12(7-9)19-14(18)16-11/h1-7H,(H,16,18)
InChIKey
OUTHXKQIPCEWRJ-UHFFFAOYSA-N
Compound name
6-(3-chlorobenzoyl)-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.01926 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.026536 155.8
[M+Na]+ 296.008478 168.1
[M-H]- 272.011984 162.7
[M+NH4]+ 291.053083 172.6
[M+K]+ 311.982418 162.8
[M+H-H2O]+ 256.016520 149.4
[M+HCOO]- 318.017461 173.8
[M+CH3COO]- 332.033111 169.4
[M+Na-2H]- 293.993926 161.5
[M]+ 273.01871142 160.9
[M]- 273.01980858 160.9
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

No patent data available for this compound.