CID 364833

2-methyl-1-(phenylsulfonyl)-1h-indole

Structural Information

Molecular Formula
C15H13NO2S
SMILES
CC1=CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C15H13NO2S/c1-12-11-13-7-5-6-10-15(13)16(12)19(17,18)14-8-3-2-4-9-14/h2-11H,1H3
InChIKey
URRIVCFHQGNMOQ-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-2-methylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

271.0667 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.07398 160.4
[M+Na]+ 294.05592 172.3
[M-H]- 270.05942 168.2
[M+NH4]+ 289.10052 179.3
[M+K]+ 310.02986 167.1
[M+H-H2O]+ 254.06396 153.9
[M+HCOO]- 316.06490 179.6
[M+CH3COO]- 330.08055 174.0
[M+Na-2H]- 292.04137 165.7
[M]+ 271.06615 165.6
[M]- 271.06725 165.6
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