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]+ 182.064556 135.5
[M+Na]+ 204.046498 143.1
[M-H]- 180.050004 137.4
[M+NH4]+ 199.091103 157.3
[M+K]+ 220.020438 140.9
[M+H-H2O]+ 164.054540 129.9
[M+HCOO]- 226.055481 152.0
[M+CH3COO]- 240.071131 177.6
[M+Na-2H]- 202.031946 136.7
[M]+ 181.05673142 132.9
[M]- 181.05782858 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.