CID 33730966

144155-85-1

Structural Information

Molecular Formula
C8H3Cl2NO3
SMILES
C1=CC(=C2C(=C1Cl)C(=O)OC(=O)N2)Cl
InChI
InChI=1S/C8H3Cl2NO3/c9-3-1-2-4(10)6-5(3)7(12)14-8(13)11-6/h1-2H,(H,11,13)
InChIKey
CTMWWMXXWKUCKR-UHFFFAOYSA-N
Compound name
5,8-dichloro-1H-3,1-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.949 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.95628 137.2
[M+Na]+ 253.93822 151.2
[M-H]- 229.94172 140.5
[M+NH4]+ 248.98282 155.0
[M+K]+ 269.91216 146.4
[M+H-H2O]+ 213.94626 132.9
[M+HCOO]- 275.94720 149.5
[M+CH3COO]- 289.96285 151.4
[M+Na-2H]- 251.92367 145.5
[M]+ 230.94845 142.4
[M]- 230.94955 142.4
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.