CID 137949451

2172432-26-5

Structural Information

Molecular Formula
C14H16ClF2NO4S
SMILES
C1CN(CC(C1(F)F)CS(=O)(=O)Cl)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H16ClF2NO4S/c15-23(20,21)10-12-8-18(7-6-14(12,16)17)13(19)22-9-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKey
NHUXQFZLWRASOK-UHFFFAOYSA-N
Compound name
benzyl 3-(chlorosulfonylmethyl)-4,4-difluoropiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.04565 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.05293 174.4
[M+Na]+ 390.03487 182.0
[M-H]- 366.03837 176.8
[M+NH4]+ 385.07947 188.6
[M+K]+ 406.00881 177.2
[M+H-H2O]+ 350.04291 166.7
[M+HCOO]- 412.04385 180.5
[M+CH3COO]- 426.05950 206.0
[M+Na-2H]- 388.02032 175.8
[M]+ 367.04510 175.6
[M]- 367.04620 175.6
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.