CID 5273710

3-[(3,4-dichlorophenyl)methyl]-6-nitro-1,3-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C15H8Cl2N2O5
SMILES
C1=CC(=C(C=C1CN2C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC2=O)Cl)Cl
InChI
InChI=1S/C15H8Cl2N2O5/c16-11-3-1-8(5-12(11)17)7-18-14(20)10-6-9(19(22)23)2-4-13(10)24-15(18)21/h1-6H,7H2
InChIKey
FUXUHMOYUZCGNJ-UHFFFAOYSA-N
Compound name
3-[(3,4-dichlorophenyl)methyl]-6-nitro-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.98102 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.98830 177.3
[M+Na]+ 388.97024 188.5
[M-H]- 364.97374 184.3
[M+NH4]+ 384.01484 188.7
[M+K]+ 404.94418 180.0
[M+H-H2O]+ 348.97828 174.3
[M+HCOO]- 410.97922 190.5
[M+CH3COO]- 424.99487 207.0
[M+Na-2H]- 386.95569 184.1
[M]+ 365.98047 183.9
[M]- 365.98157 183.9
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.