CID 146680222

2130906-05-5

Structural Information

Molecular Formula
C15H10INO2
SMILES
C1=CC=C2C(=C1)C(=CN2)I3C4=CC=CC=C4C(=O)O3
InChI
InChI=1S/C15H10INO2/c18-15-11-6-1-3-7-12(11)16(19-15)13-9-17-14-8-4-2-5-10(13)14/h1-9,17H
InChIKey
YDVSRLORXIDFGO-UHFFFAOYSA-N
Compound name
1-(1H-indol-3-yl)-1lambda3,2-benziodoxol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.97562 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.98290 164.4
[M+Na]+ 385.96484 171.6
[M+NH4]+ 381.00944 169.4
[M+K]+ 401.93878 170.7
[M-H]- 361.96834 163.4
[M+Na-2H]- 383.95029 158.5
[M]+ 362.97507 164.2
[M]- 362.97617 164.2
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

No patent data available for this compound.