CID 11550259

120374-68-7

Structural Information

Molecular Formula
C9H6ClNO3
SMILES
CC1=CC(=CC2=C1NC(=O)OC2=O)Cl
InChI
InChI=1S/C9H6ClNO3/c1-4-2-5(10)3-6-7(4)11-9(13)14-8(6)12/h2-3H,1H3,(H,11,13)
InChIKey
MBQXAIQVDKETLJ-UHFFFAOYSA-N
Compound name
6-chloro-8-methyl-1H-3,1-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

287
Patents

211.00362 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.01090 136.3
[M+Na]+ 233.99284 149.8
[M-H]- 209.99634 140.3
[M+NH4]+ 229.03744 154.7
[M+K]+ 249.96678 145.8
[M+H-H2O]+ 194.00088 131.2
[M+HCOO]- 256.00182 153.5
[M+CH3COO]- 270.01747 182.1
[M+Na-2H]- 231.97829 144.9
[M]+ 211.00307 140.9
[M]- 211.00417 140.9
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

patents stripe