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 154.9
[M+Na]+ 385.96484 158.9
[M-H]- 361.96834 155.2
[M+NH4]+ 381.00944 169.4
[M+K]+ 401.93878 160.0
[M+H-H2O]+ 345.97288 145.3
[M+HCOO]- 407.97382 171.8
[M+CH3COO]- 421.98947 164.3
[M+Na-2H]- 383.95029 149.2
[M]+ 362.97507 153.6
[M]- 362.97617 153.6
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.