CID 139026496

Rac-methyl (1r,3s)-3-[(chlorosulfonyl)methyl]-3-fluorocyclopentane-1-carboxylate

Structural Information

Molecular Formula
C8H12ClFO4S
SMILES
COC(=O)[C@@H]1CC[C@](C1)(CS(=O)(=O)Cl)F
InChI
InChI=1S/C8H12ClFO4S/c1-14-7(11)6-2-3-8(10,4-6)5-15(9,12)13/h6H,2-5H2,1H3/t6-,8+/m1/s1
InChIKey
ZRJWCJYNBQRYAK-SVRRBLITSA-N
Compound name
trans-methyl (1R,3S)-3-(chlorosulfonylmethyl)-3-fluorocyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.01288 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.020156 149.6
[M+Na]+ 281.002098 158.4
[M-H]- 257.005604 152.3
[M+NH4]+ 276.046703 171.5
[M+K]+ 296.976038 155.6
[M+H-H2O]+ 241.010140 146.4
[M+HCOO]- 303.011081 160.4
[M+CH3COO]- 317.026731 186.2
[M+Na-2H]- 278.987546 151.2
[M]+ 258.01233142 153.3
[M]- 258.01342858 153.3
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.