CID 30435

20979-01-5

Structural Information

Molecular Formula
C14H10N2O4
SMILES
C1N(C(=O)C2=C(O1)C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3
InChI
InChI=1S/C14H10N2O4/c17-14-12-8-11(16(18)19)6-7-13(12)20-9-15(14)10-4-2-1-3-5-10/h1-8H,9H2
InChIKey
ASXQIAOKRHJTKP-UHFFFAOYSA-N
Compound name
6-nitro-3-phenyl-2H-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.06406 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07134 155.9
[M+Na]+ 293.05328 171.8
[M+NH4]+ 288.09788 164.2
[M+K]+ 309.02722 167.6
[M-H]- 269.05678 162.7
[M+Na-2H]- 291.03873 163.5
[M]+ 270.06351 160.1
[M]- 270.06461 160.1
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.