CID 18525751

1-methyl-1h-indole-5-sulfonyl chloride

Structural Information

Molecular Formula
C9H8ClNO2S
SMILES
CN1C=CC2=C1C=CC(=C2)S(=O)(=O)Cl
InChI
InChI=1S/C9H8ClNO2S/c1-11-5-4-7-6-8(14(10,12)13)2-3-9(7)11/h2-6H,1H3
InChIKey
UGZYASSOUPYFAI-UHFFFAOYSA-N
Compound name
1-methylindole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

228.99643 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.003706 145.0
[M+Na]+ 251.985648 158.6
[M-H]- 227.989154 150.0
[M+NH4]+ 247.030253 166.8
[M+K]+ 267.959588 153.7
[M+H-H2O]+ 211.993690 140.8
[M+HCOO]- 273.994631 159.9
[M+CH3COO]- 288.010281 183.8
[M+Na-2H]- 249.971096 150.4
[M]+ 228.99588142 152.5
[M]- 228.99697858 152.5
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