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]+ 260.01428 144.2
[M+Na]+ 281.99622 151.2
[M-H]- 257.99972 149.4
[M+NH4]+ 277.04082 154.3
[M+K]+ 297.97016 150.3
[M+H-H2O]+ 242.00426 132.6
[M+HCOO]- 304.00520 154.4
[M+CH3COO]- 318.02085 191.1
[M+Na-2H]- 279.98167 147.2
[M]+ 259.00645 155.8
[M]- 259.00755 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.