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 135.0
[M+Na]+ 203.04902 141.5
[M-H]- 179.05252 133.1
[M+NH4]+ 198.09362 156.9
[M+K]+ 219.02296 140.0
[M+H-H2O]+ 163.05706 130.2
[M+HCOO]- 225.05800 151.1
[M+CH3COO]- 239.07365 172.2
[M+Na-2H]- 201.03447 138.9
[M]+ 180.05925 128.6
[M]- 180.06035 128.6
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