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]+ 271.071336 156.4
[M+Na]+ 293.053278 162.9
[M-H]- 269.056784 162.0
[M+NH4]+ 288.097883 169.0
[M+K]+ 309.027218 155.6
[M+H-H2O]+ 253.061320 152.4
[M+HCOO]- 315.062261 175.4
[M+CH3COO]- 329.077911 188.9
[M+Na-2H]- 291.038726 165.3
[M]+ 270.06351142 152.7
[M]- 270.06460858 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