CID 154578277

2172460-15-8

Structural Information

Molecular Formula
C15H12INO3S
SMILES
COC1=CC=CC2=C1N(C=C2I)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C15H12INO3S/c1-20-14-9-5-8-12-13(16)10-17(15(12)14)21(18,19)11-6-3-2-4-7-11/h2-10H,1H3
InChIKey
BNEQTVPGCORKRA-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-3-iodo-7-methoxyindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.95825 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.96553 181.0
[M+Na]+ 435.94747 187.8
[M+NH4]+ 430.99207 184.7
[M+K]+ 451.92141 183.6
[M-H]- 411.95097 178.0
[M+Na-2H]- 433.93292 175.8
[M]+ 412.95770 180.6
[M]- 412.95880 180.6
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.