CID 364684

Nsc631318

Structural Information

Molecular Formula
C14H9NO3
SMILES
C1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3OC2=O)[O-]
InChI
InChI=1S/C14H9NO3/c16-14-13(10-6-2-1-3-7-10)15(17)11-8-4-5-9-12(11)18-14/h1-9H
InChIKey
AURJVESGPOWRRS-UHFFFAOYSA-N
Compound name
4-oxido-3-phenyl-1,4-benzoxazin-4-ium-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.05824 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06552 149.7
[M+Na]+ 262.04746 159.5
[M-H]- 238.05096 156.2
[M+NH4]+ 257.09206 164.5
[M+K]+ 278.02140 151.4
[M+H-H2O]+ 222.05550 146.1
[M+HCOO]- 284.05644 171.2
[M+CH3COO]- 298.07209 181.7
[M+Na-2H]- 260.03291 160.8
[M]+ 239.05769 149.5
[M]- 239.05879 149.5
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.