CID 11090482

6-(2,6-difluorobenzoyl)-3-phenacyl-1,3-benzoxazol-2-one

Structural Information

Molecular Formula
C22H13F2NO4
SMILES
C1=CC=C(C=C1)C(=O)CN2C3=C(C=C(C=C3)C(=O)C4=C(C=CC=C4F)F)OC2=O
InChI
InChI=1S/C22H13F2NO4/c23-15-7-4-8-16(24)20(15)21(27)14-9-10-17-19(11-14)29-22(28)25(17)12-18(26)13-5-2-1-3-6-13/h1-11H,12H2
InChIKey
XIINVGBOSYVNEB-UHFFFAOYSA-N
Compound name
6-(2,6-difluorobenzoyl)-3-phenacyl-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.08127 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.08855 189.5
[M+Na]+ 416.07049 200.5
[M-H]- 392.07399 198.4
[M+NH4]+ 411.11509 200.4
[M+K]+ 432.04443 195.4
[M+H-H2O]+ 376.07853 178.3
[M+HCOO]- 438.07947 209.0
[M+CH3COO]- 452.09512 200.5
[M+Na-2H]- 414.05594 190.1
[M]+ 393.08072 192.9
[M]- 393.08182 192.9
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.