CID 145867069

Rac-methyl (1r,3r)-3-fluoro-3-(iodomethyl)cyclopentane-1-carboxylate

Structural Information

Molecular Formula
C8H12FIO2
SMILES
COC(=O)[C@@H]1CC[C@@](C1)(CI)F
InChI
InChI=1S/C8H12FIO2/c1-12-7(11)6-2-3-8(9,4-6)5-10/h6H,2-5H2,1H3/t6-,8-/m1/s1
InChIKey
TVEYEHAJAGBKHR-HTRCEHHLSA-N
Compound name
methyl (1R,3R)-3-fluoro-3-(iodomethyl)cyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.9866 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.99388 144.3
[M+Na]+ 308.97582 144.7
[M-H]- 284.97932 139.7
[M+NH4]+ 304.02042 163.0
[M+K]+ 324.94976 149.7
[M+H-H2O]+ 268.98386 135.8
[M+HCOO]- 330.98480 160.4
[M+CH3COO]- 345.00045 187.4
[M+Na-2H]- 306.96127 135.2
[M]+ 285.98605 140.3
[M]- 285.98715 140.3
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.