CID 155822877

3-chloroazetidine-1-sulfonyl chloride

Structural Information

Molecular Formula
C3H5Cl2NO2S
SMILES
C1C(CN1S(=O)(=O)Cl)Cl
InChI
InChI=1S/C3H5Cl2NO2S/c4-3-1-6(2-3)9(5,7)8/h3H,1-2H2
InChIKey
ULQPPUVOWAYYBR-UHFFFAOYSA-N
Compound name
3-chloroazetidine-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.9418 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.94908 120.1
[M+Na]+ 211.93102 128.9
[M-H]- 187.93452 122.2
[M+NH4]+ 206.97562 133.9
[M+K]+ 227.90496 128.1
[M+H-H2O]+ 171.93906 111.7
[M+HCOO]- 233.94000 126.6
[M+CH3COO]- 247.95565 178.7
[M+Na-2H]- 209.91647 124.3
[M]+ 188.94125 131.7
[M]- 188.94235 131.7
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.