CID 11144338

2(3h)-benzoxazolone, 5-chloro-6-(2-fluorobenzoyl)-3-[2-(4-methylphenyl)-2-oxoethyl]-

Structural Information

Molecular Formula
C23H15ClFNO4
SMILES
CC1=CC=C(C=C1)C(=O)CN2C3=C(C=C(C(=C3)Cl)C(=O)C4=CC=CC=C4F)OC2=O
InChI
InChI=1S/C23H15ClFNO4/c1-13-6-8-14(9-7-13)20(27)12-26-19-11-17(24)16(10-21(19)30-23(26)29)22(28)15-4-2-3-5-18(15)25/h2-11H,12H2,1H3
InChIKey
BSMSBGFCYNTFNX-UHFFFAOYSA-N
Compound name
5-chloro-6-(2-fluorobenzoyl)-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

423.06735 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.07463 197.7
[M+Na]+ 446.05657 209.8
[M-H]- 422.06007 207.9
[M+NH4]+ 441.10117 208.7
[M+K]+ 462.03051 203.7
[M+H-H2O]+ 406.06461 187.9
[M+HCOO]- 468.06555 213.3
[M+CH3COO]- 482.08120 208.8
[M+Na-2H]- 444.04202 197.1
[M]+ 423.06680 205.4
[M]- 423.06790 205.4
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.