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]+ 244.080196 151.8
[M+Na]+ 266.062138 159.9
[M-H]- 242.065644 156.0
[M+NH4]+ 261.106743 170.2
[M+K]+ 282.036078 156.4
[M+H-H2O]+ 226.070180 144.5
[M+HCOO]- 288.071121 167.1
[M+CH3COO]- 302.086771 186.6
[M+Na-2H]- 264.047586 153.3
[M]+ 243.07237142 151.1
[M]- 243.07346858 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.