CID 45098570

2,2-difluoro-2-(1-hydroxycyclopentyl)acetic acid

Structural Information

Molecular Formula
C7H10F2O3
SMILES
C1CCC(C1)(C(C(=O)O)(F)F)O
InChI
InChI=1S/C7H10F2O3/c8-7(9,5(10)11)6(12)3-1-2-4-6/h12H,1-4H2,(H,10,11)
InChIKey
BJPRDLSLGRZMSC-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-(1-hydroxycyclopentyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

180.0598 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06708 139.2
[M+Na]+ 203.04902 144.7
[M+NH4]+ 198.09362 145.8
[M+K]+ 219.02296 142.1
[M-H]- 179.05252 134.5
[M+Na-2H]- 201.03447 141.4
[M]+ 180.05925 138.2
[M]- 180.06035 138.2
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