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]+ 240.98331 160.0
[M+Na]+ 262.96525 174.9
[M-H]- 238.96875 163.1
[M+NH4]+ 258.00985 178.4
[M+K]+ 278.93919 168.0
[M+H-H2O]+ 222.97329 149.0
[M+HCOO]- 284.97423 170.3
[M+CH3COO]- 298.98988 194.5
[M+Na-2H]- 260.95070 163.7
[M]+ 239.97548 159.7
[M]- 239.97658 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.