CID 2761067

6-(methylsulfonyl)-1h-indole

Structural Information

Molecular Formula
C9H9NO2S
SMILES
CS(=O)(=O)C1=CC2=C(C=C1)C=CN2
InChI
InChI=1S/C9H9NO2S/c1-13(11,12)8-3-2-7-4-5-10-9(7)6-8/h2-6,10H,1H3
InChIKey
CGPAQJHSHAIUQG-UHFFFAOYSA-N
Compound name
6-methylsulfonyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

172
Patents

195.0354 Da
Monoisotopic Mass

1.9
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

literature stripe

Patent stripe

patents stripe