CID 19848939

7-methanesulfonyl-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

84
Patents

195.0354 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.042676 138.7
[M+Na]+ 218.024618 150.5
[M-H]- 194.028124 142.0
[M+NH4]+ 213.069223 160.1
[M+K]+ 233.998558 146.3
[M+H-H2O]+ 178.032660 134.0
[M+HCOO]- 240.033601 156.9
[M+CH3COO]- 254.049251 176.2
[M+Na-2H]- 216.010066 144.9
[M]+ 195.03485142 142.2
[M]- 195.03594858 142.2
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