CID 57134313

88951-29-5

Structural Information

Molecular Formula
C10H11F7O2
SMILES
C1CC(CCC1C(=O)O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H11F7O2/c11-8(12,9(13,14)10(15,16)17)6-3-1-5(2-4-6)7(18)19/h5-6H,1-4H2,(H,18,19)
InChIKey
XHYURWMFYFFMBL-UHFFFAOYSA-N
Compound name
4-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

296.06473 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.07201 157.4
[M+Na]+ 319.05395 163.5
[M-H]- 295.05745 150.0
[M+NH4]+ 314.09855 171.4
[M+K]+ 335.02789 160.5
[M+H-H2O]+ 279.06199 147.2
[M+HCOO]- 341.06293 163.1
[M+CH3COO]- 355.07858 198.6
[M+Na-2H]- 317.03940 158.2
[M]+ 296.06418 142.7
[M]- 296.06528 142.7
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