CID 155822650

2503206-96-8

Structural Information

Molecular Formula
C6H10ClNO3S
SMILES
CS(=O)(=O)N1CC(C1)C(=O)CCl
InChI
InChI=1S/C6H10ClNO3S/c1-12(10,11)8-3-5(4-8)6(9)2-7/h5H,2-4H2,1H3
InChIKey
VKDCKBBVAVZPDF-UHFFFAOYSA-N
Compound name
2-chloro-1-(1-methylsulfonylazetidin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.00699 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.01427 133.4
[M+Na]+ 233.99621 140.3
[M-H]- 209.99971 135.7
[M+NH4]+ 229.04081 145.6
[M+K]+ 249.97015 140.7
[M+H-H2O]+ 194.00425 123.4
[M+HCOO]- 256.00519 143.2
[M+CH3COO]- 270.02084 184.5
[M+Na-2H]- 231.98166 135.6
[M]+ 211.00644 145.8
[M]- 211.00754 145.8
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.