CID 24749817

5-cyano-1h-indole-3-sulfonyl chloride

Structural Information

Molecular Formula
C9H5ClN2O2S
SMILES
C1=CC2=C(C=C1C#N)C(=CN2)S(=O)(=O)Cl
InChI
InChI=1S/C9H5ClN2O2S/c10-15(13,14)9-5-12-8-2-1-6(4-11)3-7(8)9/h1-3,5,12H
InChIKey
FRXYJHWXCYWFBI-UHFFFAOYSA-N
Compound name
5-cyano-1H-indole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.97603 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.983306 160.0
[M+Na]+ 262.965248 174.9
[M-H]- 238.968754 163.1
[M+NH4]+ 258.009853 178.4
[M+K]+ 278.939188 168.0
[M+H-H2O]+ 222.973290 149.0
[M+HCOO]- 284.974231 170.3
[M+CH3COO]- 298.989881 194.5
[M+Na-2H]- 260.950696 163.7
[M]+ 239.97548142 159.7
[M]- 239.97657858 159.7
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

No patent data available for this compound.