CID 515949

5-iodo-1-methylindoline-2,3-dione

Structural Information

Molecular Formula
C9H6INO2
SMILES
CN1C2=C(C=C(C=C2)I)C(=O)C1=O
InChI
InChI=1S/C9H6INO2/c1-11-7-3-2-5(10)4-6(7)8(12)9(11)13/h2-4H,1H3
InChIKey
FVRVCKWJOSBBDD-UHFFFAOYSA-N
Compound name
5-iodo-1-methylindole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

10
Patents

286.94434 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.95162 135.7
[M+Na]+ 309.93356 140.2
[M-H]- 285.93706 132.9
[M+NH4]+ 304.97816 153.0
[M+K]+ 325.90750 143.2
[M+H-H2O]+ 269.94160 127.0
[M+HCOO]- 331.94254 153.8
[M+CH3COO]- 345.95819 190.0
[M+Na-2H]- 307.91901 129.2
[M]+ 286.94379 134.8
[M]- 286.94489 134.8
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