CID 21107362

31544-40-8

Structural Information

Molecular Formula
C8H4ClNO3
SMILES
C1=CC2=C(C=C1Cl)OC(=O)NC2=O
InChI
InChI=1S/C8H4ClNO3/c9-4-1-2-5-6(3-4)13-8(12)10-7(5)11/h1-3H,(H,10,11,12)
InChIKey
KJWJQOMPJKFLKL-UHFFFAOYSA-N
Compound name
7-chloro-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

196.98798 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.995256 131.6
[M+Na]+ 219.977198 144.6
[M-H]- 195.980704 135.3
[M+NH4]+ 215.021803 150.2
[M+K]+ 235.951138 140.8
[M+H-H2O]+ 179.985240 126.4
[M+HCOO]- 241.986181 149.1
[M+CH3COO]- 256.001831 177.8
[M+Na-2H]- 217.962646 141.4
[M]+ 196.98743142 135.4
[M]- 196.98852858 135.4
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

patents stripe