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
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]+ 259.02016 149.6
[M+Na]+ 281.00210 158.4
[M-H]- 257.00560 152.3
[M+NH4]+ 276.04670 171.5
[M+K]+ 296.97604 155.6
[M+H-H2O]+ 241.01014 146.4
[M+HCOO]- 303.01108 160.4
[M+CH3COO]- 317.02673 186.2
[M+Na-2H]- 278.98755 151.2
[M]+ 258.01233 153.3
[M]- 258.01343 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.