CID 51684

Brn 5342924

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
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]+ 274.02654 155.2
[M+Na]+ 296.00848 172.0
[M+NH4]+ 291.05308 163.5
[M+K]+ 311.98242 166.5
[M-H]- 272.01198 159.8
[M+Na-2H]- 293.99393 163.2
[M]+ 273.01871 159.3
[M]- 273.01981 159.3
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.