CID 165739948

(2s)-2-(bromomethyl)pyrrolidine-1-sulfonylfluoride

Structural Information

Molecular Formula
C5H9BrFNO2S
SMILES
C1C[C@H](N(C1)S(=O)(=O)F)CBr
InChI
InChI=1S/C5H9BrFNO2S/c6-4-5-2-1-3-8(5)11(7,9)10/h5H,1-4H2/t5-/m0/s1
InChIKey
YXLAMOTXBBHXBT-YFKPBYRVSA-N
Compound name
(2S)-2-(bromomethyl)pyrrolidine-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.95213 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.95941 137.5
[M+Na]+ 267.94135 150.4
[M-H]- 243.94485 141.8
[M+NH4]+ 262.98595 159.9
[M+K]+ 283.91529 139.7
[M+H-H2O]+ 227.94939 137.8
[M+HCOO]- 289.95033 151.3
[M+CH3COO]- 303.96598 183.6
[M+Na-2H]- 265.92680 141.5
[M]+ 244.95158 155.6
[M]- 244.95268 155.6
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.