CID 5273698

3-[(4-chlorophenyl)methyl]-1,3-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C15H10ClNO3
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=O)O2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H10ClNO3/c16-11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)20-15(17)19/h1-8H,9H2
InChIKey
WTPIXTSUEZEFFQ-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)methyl]-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.0349 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.04218 159.7
[M+Na]+ 310.02412 172.2
[M-H]- 286.02762 167.5
[M+NH4]+ 305.06872 174.9
[M+K]+ 325.99806 167.3
[M+H-H2O]+ 270.03216 151.7
[M+HCOO]- 332.03310 177.5
[M+CH3COO]- 346.04875 173.1
[M+Na-2H]- 308.00957 167.5
[M]+ 287.03435 165.6
[M]- 287.03545 165.6
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.