CID 139022732

2344685-85-2

Structural Information

Molecular Formula
C11H14FNO4S
SMILES
CC(CNC(=O)OCC1=CC=CC=C1)S(=O)(=O)F
InChI
InChI=1S/C11H14FNO4S/c1-9(18(12,15)16)7-13-11(14)17-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14)
InChIKey
NXAQSVWDTPHMEK-UHFFFAOYSA-N
Compound name
benzyl N-(2-fluorosulfonylpropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.06274 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.070016 158.1
[M+Na]+ 298.051958 164.1
[M-H]- 274.055464 160.1
[M+NH4]+ 293.096563 174.0
[M+K]+ 314.025898 161.8
[M+H-H2O]+ 258.060000 150.6
[M+HCOO]- 320.060941 174.4
[M+CH3COO]- 334.076591 195.0
[M+Na-2H]- 296.037406 160.6
[M]+ 275.06219142 160.6
[M]- 275.06328858 160.6
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.