CID 11015729

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

Structural Information

Molecular Formula
C22H12Cl2FNO4
SMILES
C1=CC=C(C(=C1)C(=O)C2=CC3=C(C=C2Cl)N(C(=O)O3)CC(=O)C4=CC=C(C=C4)Cl)F
InChI
InChI=1S/C22H12Cl2FNO4/c23-13-7-5-12(6-8-13)19(27)11-26-18-10-16(24)15(9-20(18)30-22(26)29)21(28)14-3-1-2-4-17(14)25/h1-10H,11H2
InChIKey
FXUDWCAZTMMMAT-UHFFFAOYSA-N
Compound name
5-chloro-3-[2-(4-chlorophenyl)-2-oxoethyl]-6-(2-fluorobenzoyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

443.01276 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.02004 198.4
[M+Na]+ 466.00198 211.3
[M-H]- 442.00548 207.9
[M+NH4]+ 461.04658 209.2
[M+K]+ 481.97592 204.6
[M+H-H2O]+ 426.01002 189.2
[M+HCOO]- 488.01096 209.3
[M+CH3COO]- 502.02661 209.2
[M+Na-2H]- 463.98743 197.8
[M]+ 443.01221 207.4
[M]- 443.01331 207.4
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.