CID 29207

18672-15-6

Structural Information

Molecular Formula
C14H10N2O4
SMILES
C1N(C(=O)C2=CC=CC=C2O1)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H10N2O4/c17-14-12-3-1-2-4-13(12)20-9-15(14)10-5-7-11(8-6-10)16(18)19/h1-8H,9H2
InChIKey
RJFKAIOIBHHRQM-UHFFFAOYSA-N
Compound name
3-(4-nitrophenyl)-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 156.8
[M+Na]+ 293.05328 163.7
[M-H]- 269.05678 163.7
[M+NH4]+ 288.09788 170.1
[M+K]+ 309.02722 157.2
[M+H-H2O]+ 253.06132 152.4
[M+HCOO]- 315.06226 177.3
[M+CH3COO]- 329.07791 191.5
[M+Na-2H]- 291.03873 166.0
[M]+ 270.06351 154.8
[M]- 270.06461 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.