CID 315017

1-(phenylsulfonyl)-1h-indole

Structural Information

Molecular Formula
C14H11NO2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=CC=CC=C32
InChI
InChI=1S/C14H11NO2S/c16-18(17,13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)15/h1-11H
InChIKey
VDWLCYCWLIKWBV-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

922
Patents

257.05106 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.05834 156.0
[M+Na]+ 280.04028 167.6
[M-H]- 256.04378 163.7
[M+NH4]+ 275.08488 175.2
[M+K]+ 296.01422 162.5
[M+H-H2O]+ 240.04832 149.5
[M+HCOO]- 302.04926 175.6
[M+CH3COO]- 316.06491 169.8
[M+Na-2H]- 278.02573 162.4
[M]+ 257.05051 160.5
[M]- 257.05161 160.5
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