CID 384677

Nsc674722

Structural Information

Molecular Formula
C22H14FNO4
SMILES
C1=CC=C(C=C1)C(=O)CN2C3=C(C=CC(=C3)C(=O)C4=CC=C(C=C4)F)OC2=O
InChI
InChI=1S/C22H14FNO4/c23-17-9-6-15(7-10-17)21(26)16-8-11-20-18(12-16)24(22(27)28-20)13-19(25)14-4-2-1-3-5-14/h1-12H,13H2
InChIKey
FUFOBSYVSCZRIV-UHFFFAOYSA-N
Compound name
5-(4-fluorobenzoyl)-3-phenacyl-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.0907 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.09798 186.1
[M+Na]+ 398.07992 196.2
[M-H]- 374.08342 195.9
[M+NH4]+ 393.12452 197.5
[M+K]+ 414.05386 191.5
[M+H-H2O]+ 358.08796 175.7
[M+HCOO]- 420.08890 206.7
[M+CH3COO]- 434.10455 197.4
[M+Na-2H]- 396.06537 188.0
[M]+ 375.09015 190.1
[M]- 375.09125 190.1
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.