CID 384678

Nsc674723

Structural Information

Molecular Formula
C22H13FN2O6
SMILES
C1=CC(=CC=C1C(=O)CN2C3=C(C=CC(=C3)C(=O)C4=CC=C(C=C4)F)OC2=O)[N+](=O)[O-]
InChI
InChI=1S/C22H13FN2O6/c23-16-6-1-14(2-7-16)21(27)15-5-10-20-18(11-15)24(22(28)31-20)12-19(26)13-3-8-17(9-4-13)25(29)30/h1-11H,12H2
InChIKey
HYMAOOQZQWFHLP-UHFFFAOYSA-N
Compound name
5-(4-fluorobenzoyl)-3-[2-(4-nitrophenyl)-2-oxoethyl]-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.07578 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.08306 195.4
[M+Na]+ 443.06500 203.1
[M-H]- 419.06850 205.3
[M+NH4]+ 438.10960 203.6
[M+K]+ 459.03894 195.4
[M+H-H2O]+ 403.07304 188.9
[M+HCOO]- 465.07398 216.4
[M+CH3COO]- 479.08963 219.8
[M+Na-2H]- 441.05045 199.0
[M]+ 420.07523 198.0
[M]- 420.07633 198.0
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.