CID 30435

Brn 1590486

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]+ 271.071336 156.8
[M+Na]+ 293.053278 163.7
[M-H]- 269.056784 163.7
[M+NH4]+ 288.097883 170.1
[M+K]+ 309.027218 157.2
[M+H-H2O]+ 253.061320 152.4
[M+HCOO]- 315.062261 177.3
[M+CH3COO]- 329.077911 191.5
[M+Na-2H]- 291.038726 166.0
[M]+ 270.06351142 154.8
[M]- 270.06460858 154.8
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.