CID 53425210

887593-59-1

Structural Information

Molecular Formula
C14H18BrNO4S
SMILES
CC(C)(C)OC(=O)N1CC(C1)S(=O)(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C14H18BrNO4S/c1-14(2,3)20-13(17)16-8-12(9-16)21(18,19)11-6-4-10(15)5-7-11/h4-7,12H,8-9H2,1-3H3
InChIKey
GBYNEEZSXKSQCS-UHFFFAOYSA-N
Compound name
tert-butyl 3-(4-bromophenyl)sulfonylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

375.01398 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.02126 161.5
[M+Na]+ 398.00320 158.8
[M+NH4]+ 393.04780 160.6
[M+K]+ 413.97714 161.8
[M-H]- 374.00670 157.8
[M+Na-2H]- 395.98865 161.5
[M]+ 375.01343 158.2
[M]- 375.01453 158.2
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

patents stripe