CID 137963789

2227839-99-6

Structural Information

Molecular Formula
C5H6ClNO2S
SMILES
C1[C@H]([C@H]1C#N)CS(=O)(=O)Cl
InChI
InChI=1S/C5H6ClNO2S/c6-10(8,9)3-5-1-4(5)2-7/h4-5H,1,3H2/t4-,5+/m1/s1
InChIKey
WKNVLVDCXSBSBC-UHNVWZDZSA-N
Compound name
[(1R,2S)-2-cyanocyclopropyl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.98077 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.98805 131.5
[M+Na]+ 201.96999 148.5
[M-H]- 177.97349 139.0
[M+NH4]+ 197.01459 148.6
[M+K]+ 217.94393 142.4
[M+H-H2O]+ 161.97803 123.8
[M+HCOO]- 223.97897 144.7
[M+CH3COO]- 237.99462 191.0
[M+Na-2H]- 199.95544 137.4
[M]+ 178.98022 134.8
[M]- 178.98132 134.8
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

No patent data available for this compound.