CID 117063950

2-cyano-1-benzothiophene-3-sulfonyl chloride

Structural Information

Molecular Formula
C9H4ClNO2S2
SMILES
C1=CC=C2C(=C1)C(=C(S2)C#N)S(=O)(=O)Cl
InChI
InChI=1S/C9H4ClNO2S2/c10-15(12,13)9-6-3-1-2-4-7(6)14-8(9)5-11/h1-4H
InChIKey
TWXRYVUNIDNOMJ-UHFFFAOYSA-N
Compound name
2-cyano-1-benzothiophene-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.9372 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.94448 145.4
[M+Na]+ 279.92642 158.0
[M+NH4]+ 274.97102 151.4
[M+K]+ 295.90036 147.0
[M-H]- 255.92992 140.2
[M+Na-2H]- 277.91187 148.8
[M]+ 256.93665 146.1
[M]- 256.93775 146.1
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.