CID 131296975

2090721-99-4

Structural Information

Molecular Formula
C10H6BrNO4
SMILES
COC(=O)C1=CC(=CC2=C1NC(=O)C2=O)Br
InChI
InChI=1S/C10H6BrNO4/c1-16-10(15)6-3-4(11)2-5-7(6)12-9(14)8(5)13/h2-3H,1H3,(H,12,13,14)
InChIKey
KYUDISFMFVEROE-UHFFFAOYSA-N
Compound name
methyl 5-bromo-2,3-dioxo-1H-indole-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.94803 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.95531 150.4
[M+Na]+ 305.93725 163.8
[M-H]- 281.94075 155.8
[M+NH4]+ 300.98185 171.1
[M+K]+ 321.91119 152.7
[M+H-H2O]+ 265.94529 150.8
[M+HCOO]- 327.94623 169.0
[M+CH3COO]- 341.96188 192.7
[M+Na-2H]- 303.92270 154.6
[M]+ 282.94748 170.3
[M]- 282.94858 170.3
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.