CID 11197415

6-iodo-8-methyl-2,4-dihydro-1h-3,1-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C9H6INO3
SMILES
CC1=CC(=CC2=C1NC(=O)OC2=O)I
InChI
InChI=1S/C9H6INO3/c1-4-2-5(10)3-6-7(4)11-9(13)14-8(6)12/h2-3H,1H3,(H,11,13)
InChIKey
ARJUBKFFRMOQTO-UHFFFAOYSA-N
Compound name
6-iodo-8-methyl-1H-3,1-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

302.93924 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.94652 141.9
[M+Na]+ 325.92846 146.9
[M-H]- 301.93196 138.7
[M+NH4]+ 320.97306 155.0
[M+K]+ 341.90240 150.3
[M+H-H2O]+ 285.93650 132.2
[M+HCOO]- 347.93744 158.3
[M+CH3COO]- 361.95309 189.7
[M+Na-2H]- 323.91391 138.6
[M]+ 302.93869 141.7
[M]- 302.93979 141.7
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