CID 20038233

1h-indole-3-sulfonyl chloride

Structural Information

Molecular Formula
C8H6ClNO2S
SMILES
C1=CC=C2C(=C1)C(=CN2)S(=O)(=O)Cl
InChI
InChI=1S/C8H6ClNO2S/c9-13(11,12)8-5-10-7-4-2-1-3-6(7)8/h1-5,10H
InChIKey
QGONQZDATSXDKK-UHFFFAOYSA-N
Compound name
1H-indole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

214.98077 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.988046 140.8
[M+Na]+ 237.969988 153.6
[M-H]- 213.973494 144.2
[M+NH4]+ 233.014593 162.2
[M+K]+ 253.943928 148.0
[M+H-H2O]+ 197.978030 136.9
[M+HCOO]- 259.978971 154.6
[M+CH3COO]- 273.994621 177.1
[M+Na-2H]- 235.955436 147.0
[M]+ 214.98022142 145.7
[M]- 214.98131858 145.7
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