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]+ 197.998626 129.0
[M+Na]+ 219.980568 136.4
[M-H]- 195.984074 131.5
[M+NH4]+ 215.025173 141.8
[M+K]+ 235.954508 137.0
[M+H-H2O]+ 179.988610 119.2
[M+HCOO]- 241.989551 139.1
[M+CH3COO]- 256.005201 180.9
[M+Na-2H]- 217.966016 131.7
[M]+ 196.99080142 140.9
[M]- 196.99189858 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.