CID 15259931

1-cyanoethanesulfonyl chloride

Structural Information

Molecular Formula
C3H4ClNO2S
SMILES
CC(C#N)S(=O)(=O)Cl
InChI
InChI=1S/C3H4ClNO2S/c1-3(2-5)8(4,6)7/h3H,1H3
InChIKey
SRCZKNRKHJHVCD-UHFFFAOYSA-N
Compound name
1-cyanoethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

152.96513 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.97241 130.8
[M+Na]+ 175.95435 142.2
[M-H]- 151.95785 133.3
[M+NH4]+ 170.99895 151.3
[M+K]+ 191.92829 140.6
[M+H-H2O]+ 135.96239 121.5
[M+HCOO]- 197.96333 141.4
[M+CH3COO]- 211.97898 183.8
[M+Na-2H]- 173.93980 134.6
[M]+ 152.96458 129.8
[M]- 152.96568 129.8
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

patents stripe