CID 1424705

6-chloro-3-(4-nitrophenyl)-2h-1,3-benzoxazine-2,4(3h)-dione

Structural Information

Molecular Formula
C14H7ClN2O5
SMILES
C1=CC(=CC=C1N2C(=O)C3=C(C=CC(=C3)Cl)OC2=O)[N+](=O)[O-]
InChI
InChI=1S/C14H7ClN2O5/c15-8-1-6-12-11(7-8)13(18)16(14(19)22-12)9-2-4-10(5-3-9)17(20)21/h1-7H
InChIKey
MZVNSIAWBFQMCS-UHFFFAOYSA-N
Compound name
6-chloro-3-(4-nitrophenyl)-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.00436 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.01164 165.6
[M+Na]+ 340.99358 176.5
[M-H]- 316.99708 173.5
[M+NH4]+ 336.03818 178.2
[M+K]+ 356.96752 168.7
[M+H-H2O]+ 301.00162 162.0
[M+HCOO]- 363.00256 184.3
[M+CH3COO]- 377.01821 198.5
[M+Na-2H]- 338.97903 174.7
[M]+ 318.00381 170.1
[M]- 318.00491 170.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.