CID 10927711

5-chloro-6-(2-fluorobenzoyl)-3-phenacyl-1,3-benzoxazol-2-one

Structural Information

Molecular Formula
C22H13ClFNO4
SMILES
C1=CC=C(C=C1)C(=O)CN2C3=C(C=C(C(=C3)Cl)C(=O)C4=CC=CC=C4F)OC2=O
InChI
InChI=1S/C22H13ClFNO4/c23-16-11-18-20(10-15(16)21(27)14-8-4-5-9-17(14)24)29-22(28)25(18)12-19(26)13-6-2-1-3-7-13/h1-11H,12H2
InChIKey
DBRREEKOQFQFBC-UHFFFAOYSA-N
Compound name
5-chloro-6-(2-fluorobenzoyl)-3-phenacyl-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

409.05173 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.05901 192.9
[M+Na]+ 432.04095 204.7
[M-H]- 408.04445 202.9
[M+NH4]+ 427.08555 204.2
[M+K]+ 448.01489 198.7
[M+H-H2O]+ 392.04899 183.2
[M+HCOO]- 454.04993 209.0
[M+CH3COO]- 468.06558 204.2
[M+Na-2H]- 430.02640 193.7
[M]+ 409.05118 199.9
[M]- 409.05228 199.9
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.