CID 374000

Nsc651040

Structural Information

Molecular Formula
C8H3ClINO2
SMILES
C1=CC(=C(C2=C1NC(=O)C2=O)I)Cl
InChI
InChI=1S/C8H3ClINO2/c9-3-1-2-4-5(6(3)10)7(12)8(13)11-4/h1-2H,(H,11,12,13)
InChIKey
AQJBGXYZTOJOKK-UHFFFAOYSA-N
Compound name
5-chloro-4-iodo-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.8897 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.89698 138.0
[M+Na]+ 329.87892 143.2
[M-H]- 305.88242 133.9
[M+NH4]+ 324.92352 154.7
[M+K]+ 345.85286 143.9
[M+H-H2O]+ 289.88696 130.2
[M+HCOO]- 351.88790 150.7
[M+CH3COO]- 365.90355 188.3
[M+Na-2H]- 327.86437 131.1
[M]+ 306.88915 136.8
[M]- 306.89025 136.8
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.