CID 75412063

(1-cyanocyclopropyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C5H6ClNO2S
SMILES
C1CC1(CS(=O)(=O)Cl)C#N
InChI
InChI=1S/C5H6ClNO2S/c6-10(8,9)4-5(3-7)1-2-5/h1-2,4H2
InChIKey
YCQUANRKFHCAHH-UHFFFAOYSA-N
Compound name
(1-cyanocyclopropyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

178.98077 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.98805 132.0
[M+Na]+ 201.96999 143.4
[M+NH4]+ 197.01459 138.6
[M+K]+ 217.94393 134.2
[M-H]- 177.97349 131.5
[M+Na-2H]- 199.95544 138.0
[M]+ 178.98022 134.4
[M]- 178.98132 134.4
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