CID 45791749

1-benzylpyrrolidine-3-sulfonyl fluoride

Structural Information

Molecular Formula
C11H14FNO2S
SMILES
C1CN(CC1S(=O)(=O)F)CC2=CC=CC=C2
InChI
InChI=1S/C11H14FNO2S/c12-16(14,15)11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKey
KCLJEZPHJZQPIW-UHFFFAOYSA-N
Compound name
1-benzylpyrrolidine-3-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.07292 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.08020 151.8
[M+Na]+ 266.06214 159.9
[M-H]- 242.06564 156.0
[M+NH4]+ 261.10674 170.2
[M+K]+ 282.03608 156.4
[M+H-H2O]+ 226.07018 144.5
[M+HCOO]- 288.07112 167.1
[M+CH3COO]- 302.08677 186.6
[M+Na-2H]- 264.04759 153.3
[M]+ 243.07237 151.1
[M]- 243.07347 151.1
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.