CID 12035023

177970-27-3

Structural Information

Molecular Formula
C9H6BrNO3
SMILES
CC1=CC2=C(C(=C1)Br)NC(=O)OC2=O
InChI
InChI=1S/C9H6BrNO3/c1-4-2-5-7(6(10)3-4)11-9(13)14-8(5)12/h2-3H,1H3,(H,11,13)
InChIKey
XDPLOGJWYJBJGE-UHFFFAOYSA-N
Compound name
8-bromo-6-methyl-1H-3,1-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

254.95311 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.96039 140.2
[M+Na]+ 277.94233 155.2
[M-H]- 253.94583 146.7
[M+NH4]+ 272.98693 159.5
[M+K]+ 293.91627 144.6
[M+H-H2O]+ 237.95037 140.3
[M+HCOO]- 299.95131 159.5
[M+CH3COO]- 313.96696 188.4
[M+Na-2H]- 275.92778 150.0
[M]+ 254.95256 161.2
[M]- 254.95366 161.2
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