CID 155937596

2703781-70-6

Structural Information

Molecular Formula
C13H16ClNO4S
SMILES
C1C(CC1NC(=O)OCC2=CC=CC=C2)CS(=O)(=O)Cl
InChI
InChI=1S/C13H16ClNO4S/c14-20(17,18)9-11-6-12(7-11)15-13(16)19-8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,15,16)
InChIKey
ZDZRGYPFDHNOJA-UHFFFAOYSA-N
Compound name
benzyl N-[3-(chlorosulfonylmethyl)cyclobutyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.04886 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.05614 161.9
[M+Na]+ 340.03808 166.1
[M-H]- 316.04158 167.6
[M+NH4]+ 335.08268 170.4
[M+K]+ 356.01202 165.3
[M+H-H2O]+ 300.04612 149.6
[M+HCOO]- 362.04706 173.4
[M+CH3COO]- 376.06271 203.4
[M+Na-2H]- 338.02353 164.0
[M]+ 317.04831 174.6
[M]- 317.04941 174.6
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.