CID 18525782

1-methyl-1h-indole-4-sulfonyl chloride

Structural Information

Molecular Formula
C9H8ClNO2S
SMILES
CN1C=CC2=C1C=CC=C2S(=O)(=O)Cl
InChI
InChI=1S/C9H8ClNO2S/c1-11-6-5-7-8(11)3-2-4-9(7)14(10,12)13/h2-6H,1H3
InChIKey
HFWFOJFQXZBLAU-UHFFFAOYSA-N
Compound name
1-methylindole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

228.99643 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.00371 145.0
[M+Na]+ 251.98565 158.6
[M-H]- 227.98915 150.0
[M+NH4]+ 247.03025 166.8
[M+K]+ 267.95959 153.7
[M+H-H2O]+ 211.99369 140.8
[M+HCOO]- 273.99463 159.9
[M+CH3COO]- 288.01028 183.8
[M+Na-2H]- 249.97110 150.4
[M]+ 228.99588 152.5
[M]- 228.99698 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