CID 68932475

1935300-98-3

Structural Information

Molecular Formula
C8H12F2O2
SMILES
CCC1(CCC(C1)(F)F)C(=O)O
InChI
InChI=1S/C8H12F2O2/c1-2-7(6(11)12)3-4-8(9,10)5-7/h2-5H2,1H3,(H,11,12)
InChIKey
DXLXHVMXGVUHDL-UHFFFAOYSA-N
Compound name
1-ethyl-3,3-difluorocyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

178.08054 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.087816 133.8
[M+Na]+ 201.069758 141.9
[M-H]- 177.073264 133.7
[M+NH4]+ 196.114363 158.8
[M+K]+ 217.043698 140.3
[M+H-H2O]+ 161.077800 129.3
[M+HCOO]- 223.078741 152.5
[M+CH3COO]- 237.094391 176.4
[M+Na-2H]- 199.055206 137.4
[M]+ 178.07999142 129.5
[M]- 178.08108858 129.5
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