CID 125424389

(5-cyanothiophen-3-yl)methanesulfonyl chloride

Structural Information

Molecular Formula
C6H4ClNO2S2
SMILES
C1=C(SC=C1CS(=O)(=O)Cl)C#N
InChI
InChI=1S/C6H4ClNO2S2/c7-12(9,10)4-5-1-6(2-8)11-3-5/h1,3H,4H2
InChIKey
YGSYZGWYRRSBBT-UHFFFAOYSA-N
Compound name
(5-cyanothiophen-3-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.9372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.94448 156.3
[M+Na]+ 243.92642 169.7
[M-H]- 219.92992 161.8
[M+NH4]+ 238.97102 176.4
[M+K]+ 259.90036 165.1
[M+H-H2O]+ 203.93446 146.3
[M+HCOO]- 265.93540 163.7
[M+CH3COO]- 279.95105 192.3
[M+Na-2H]- 241.91187 156.9
[M]+ 220.93665 156.6
[M]- 220.93775 156.6
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.