CID 130658150

3-cyanothiophene-2-sulfonyl chloride

Structural Information

Molecular Formula
C5H2ClNO2S2
SMILES
C1=CSC(=C1C#N)S(=O)(=O)Cl
InChI
InChI=1S/C5H2ClNO2S2/c6-11(8,9)5-4(3-7)1-2-10-5/h1-2H
InChIKey
UNBCVGNVCZQZKH-UHFFFAOYSA-N
Compound name
3-cyanothiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.92155 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.92883 152.6
[M+Na]+ 229.91077 166.4
[M-H]- 205.91427 158.2
[M+NH4]+ 224.95537 173.2
[M+K]+ 245.88471 162.0
[M+H-H2O]+ 189.91881 142.7
[M+HCOO]- 251.91975 160.3
[M+CH3COO]- 265.93540 189.6
[M+Na-2H]- 227.89622 153.6
[M]+ 206.92100 152.6
[M]- 206.92210 152.6
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.