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 166.8
[M+Na]+ 326.08328 173.4
[M-H]- 302.08678 169.0
[M+NH4]+ 321.12788 182.0
[M+K]+ 342.05722 170.7
[M+H-H2O]+ 286.09132 159.6
[M+HCOO]- 348.09226 181.9
[M+CH3COO]- 362.10791 201.1
[M+Na-2H]- 324.06873 169.9
[M]+ 303.09351 170.4
[M]- 303.09461 170.4
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.