CID 19848939

7-(methylsulfonyl)-1h-indole

Structural Information

Molecular Formula
C9H9NO2S
SMILES
CS(=O)(=O)C1=CC=CC2=C1NC=C2
InChI
InChI=1S/C9H9NO2S/c1-13(11,12)8-4-2-3-7-5-6-10-9(7)8/h2-6,10H,1H3
InChIKey
BCZHZQBEZAXRLQ-UHFFFAOYSA-N
Compound name
7-methylsulfonyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

195.0354 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.04268 139.4
[M+Na]+ 218.02462 152.0
[M+NH4]+ 213.06922 147.9
[M+K]+ 233.99856 146.1
[M-H]- 194.02812 140.0
[M+Na-2H]- 216.01007 145.1
[M]+ 195.03485 141.8
[M]- 195.03595 141.8
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

patents stripe