CID 75480402

1-benzoylazetidine-3-sulfonyl chloride

Structural Information

Molecular Formula
C10H10ClNO3S
SMILES
C1C(CN1C(=O)C2=CC=CC=C2)S(=O)(=O)Cl
InChI
InChI=1S/C10H10ClNO3S/c11-16(14,15)9-6-12(7-9)10(13)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey
CSKVBBDHYBQPBH-UHFFFAOYSA-N
Compound name
1-benzoylazetidine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.007 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.014276 144.2
[M+Na]+ 281.996218 151.2
[M-H]- 257.999724 149.4
[M+NH4]+ 277.040823 154.3
[M+K]+ 297.970158 150.3
[M+H-H2O]+ 242.004260 132.6
[M+HCOO]- 304.005201 154.4
[M+CH3COO]- 318.020851 191.1
[M+Na-2H]- 279.981666 147.2
[M]+ 259.00645142 155.8
[M]- 259.00754858 155.8
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.