CID 132342214

Rac-[(1r,3s)-3-aminocyclopentyl]methanesulfonyl fluoride hydrochloride

Structural Information

Molecular Formula
C6H12FNO2S
SMILES
C1C[C@H](C[C@H]1CS(=O)(=O)F)N
InChI
InChI=1S/C6H12FNO2S/c7-11(9,10)4-5-1-2-6(8)3-5/h5-6H,1-4,8H2/t5-,6+/m0/s1
InChIKey
UHXDXYIURCHNAV-NTSWFWBYSA-N
Compound name
[(1S,3R)-3-aminocyclopentyl]methanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.05728 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.06456 135.5
[M+Na]+ 204.04650 143.1
[M-H]- 180.05000 137.4
[M+NH4]+ 199.09110 157.3
[M+K]+ 220.02044 140.9
[M+H-H2O]+ 164.05454 129.9
[M+HCOO]- 226.05548 152.0
[M+CH3COO]- 240.07113 177.6
[M+Na-2H]- 202.03195 136.7
[M]+ 181.05673 132.9
[M]- 181.05783 132.9
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.