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]+ 276.07002 158.1
[M+Na]+ 298.05196 164.1
[M-H]- 274.05546 160.1
[M+NH4]+ 293.09656 174.0
[M+K]+ 314.02590 161.8
[M+H-H2O]+ 258.06000 150.6
[M+HCOO]- 320.06094 174.4
[M+CH3COO]- 334.07659 195.0
[M+Na-2H]- 296.03741 160.6
[M]+ 275.06219 160.6
[M]- 275.06329 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.