CID 165905101

Tert-butyl n-{2-[2-(fluorosulfonyl)phenyl]ethyl}carbamate

Structural Information

Molecular Formula
C13H18FNO4S
SMILES
CC(C)(C)OC(=O)NCCC1=CC=CC=C1S(=O)(=O)F
InChI
InChI=1S/C13H18FNO4S/c1-13(2,3)19-12(16)15-9-8-10-6-4-5-7-11(10)20(14,17)18/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKey
HZDAIMKTEUSAKT-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(2-fluorosulfonylphenyl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.09406 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10134 169.7
[M+Na]+ 326.08328 177.3
[M+NH4]+ 321.12788 174.3
[M+K]+ 342.05722 172.0
[M-H]- 302.08678 167.4
[M+Na-2H]- 324.06873 172.5
[M]+ 303.09351 170.2
[M]- 303.09461 170.2
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

No patent data available for this compound.