CID 208802

33047-93-7

Structural Information

Molecular Formula
C14H10N2O4
SMILES
C1=CC=C(C=C1)C2C3=C(C=CC(=C3)[N+](=O)[O-])NC(=O)O2
InChI
InChI=1S/C14H10N2O4/c17-14-15-12-7-6-10(16(18)19)8-11(12)13(20-14)9-4-2-1-3-5-9/h1-8,13H,(H,15,17)
InChIKey
CXTUQAKALOMIKK-UHFFFAOYSA-N
Compound name
6-nitro-4-phenyl-1,4-dihydro-3,1-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 156.4
[M+Na]+ 293.05328 162.9
[M-H]- 269.05678 162.0
[M+NH4]+ 288.09788 169.0
[M+K]+ 309.02722 155.6
[M+H-H2O]+ 253.06132 152.4
[M+HCOO]- 315.06226 175.4
[M+CH3COO]- 329.07791 188.9
[M+Na-2H]- 291.03873 165.3
[M]+ 270.06351 152.7
[M]- 270.06461 152.7
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

patents stripe