CID 703538

170492-47-4

Structural Information

Molecular Formula
C9H9NO3S
SMILES
CS(=O)(=O)C1=CC2=C(C=C1)C=CN2O
InChI
InChI=1S/C9H9NO3S/c1-14(12,13)8-3-2-7-4-5-10(11)9(7)6-8/h2-6,11H,1H3
InChIKey
DSXUTUMPWBBNSD-UHFFFAOYSA-N
Compound name
1-hydroxy-6-methylsulfonylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

48
Patents

211.03032 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.03760 142.9
[M+Na]+ 234.01954 155.4
[M+NH4]+ 229.06414 150.8
[M+K]+ 249.99348 150.2
[M-H]- 210.02304 143.1
[M+Na-2H]- 232.00499 148.0
[M]+ 211.02977 145.2
[M]- 211.03087 145.2
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