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

37
Patents

180.0598 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.067076 135.0
[M+Na]+ 203.049018 141.5
[M-H]- 179.052524 133.1
[M+NH4]+ 198.093623 156.9
[M+K]+ 219.022958 140.0
[M+H-H2O]+ 163.057060 130.2
[M+HCOO]- 225.058001 151.1
[M+CH3COO]- 239.073651 172.2
[M+Na-2H]- 201.034466 138.9
[M]+ 180.05925142 128.6
[M]- 180.06034858 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