CID 71757561

4-bromo-6-methoxy-2,3-dihydro-1h-indole-2,3-dione

Structural Information

Molecular Formula
C9H6BrNO3
SMILES
COC1=CC2=C(C(=C1)Br)C(=O)C(=O)N2
InChI
InChI=1S/C9H6BrNO3/c1-14-4-2-5(10)7-6(3-4)11-9(13)8(7)12/h2-3H,1H3,(H,11,12,13)
InChIKey
QMAKAPONRWYZGC-UHFFFAOYSA-N
Compound name
4-bromo-6-methoxy-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.95311 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.96039 144.5
[M+Na]+ 277.94233 158.6
[M-H]- 253.94583 150.0
[M+NH4]+ 272.98693 166.5
[M+K]+ 293.91627 147.2
[M+H-H2O]+ 237.95037 145.2
[M+HCOO]- 299.95131 164.0
[M+CH3COO]- 313.96696 188.4
[M+Na-2H]- 275.92778 150.2
[M]+ 254.95256 164.1
[M]- 254.95366 164.1
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.