CID 154809656

1-acetylazetidine-3-sulfonyl chloride

Structural Information

Molecular Formula
C5H8ClNO3S
SMILES
CC(=O)N1CC(C1)S(=O)(=O)Cl
InChI
InChI=1S/C5H8ClNO3S/c1-4(8)7-2-5(3-7)11(6,9)10/h5H,2-3H2,1H3
InChIKey
ZOGWSVDSTCQCKX-UHFFFAOYSA-N
Compound name
1-acetylazetidine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.99135 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.99863 129.0
[M+Na]+ 219.98057 136.4
[M-H]- 195.98407 131.5
[M+NH4]+ 215.02517 141.8
[M+K]+ 235.95451 137.0
[M+H-H2O]+ 179.98861 119.2
[M+HCOO]- 241.98955 139.1
[M+CH3COO]- 256.00520 180.9
[M+Na-2H]- 217.96602 131.7
[M]+ 196.99080 140.9
[M]- 196.99190 140.9
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.