CID 162187891

Rac-2-[(1r,2s)-2-fluorocyclopropyl]acetic acid

Structural Information

Molecular Formula
C5H7FO2
SMILES
C1[C@H]([C@H]1F)CC(=O)O
InChI
InChI=1S/C5H7FO2/c6-4-1-3(4)2-5(7)8/h3-4H,1-2H2,(H,7,8)/t3-,4-/m0/s1
InChIKey
ZPXAHTIQEUCDFS-IMJSIDKUSA-N
Compound name
2-[(1R,2S)-2-fluorocyclopropyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

118.04301 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.050286 118.1
[M+Na]+ 141.032228 128.2
[M-H]- 117.035734 120.8
[M+NH4]+ 136.076833 135.3
[M+K]+ 157.006168 126.1
[M+H-H2O]+ 101.040270 112.3
[M+HCOO]- 163.041211 139.8
[M+CH3COO]- 177.056861 171.5
[M+Na-2H]- 139.017676 123.6
[M]+ 118.04246142 119.2
[M]- 118.04355858 119.2
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

patents stripe