CID 68006810

2-(2,2-difluorocyclopentyl)acetic acid

Structural Information

Molecular Formula
C7H10F2O2
SMILES
C1CC(C(C1)(F)F)CC(=O)O
InChI
InChI=1S/C7H10F2O2/c8-7(9)3-1-2-5(7)4-6(10)11/h5H,1-4H2,(H,10,11)
InChIKey
KOKUGISIHTUPJT-UHFFFAOYSA-N
Compound name
2-(2,2-difluorocyclopentyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

164.06488 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07216 130.8
[M+Na]+ 187.05410 138.4
[M-H]- 163.05760 130.5
[M+NH4]+ 182.09870 154.4
[M+K]+ 203.02804 136.8
[M+H-H2O]+ 147.06214 125.4
[M+HCOO]- 209.06308 149.8
[M+CH3COO]- 223.07873 173.6
[M+Na-2H]- 185.03955 133.6
[M]+ 164.06433 125.7
[M]- 164.06543 125.7
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