CID 165681640

3-(4,4-difluorocyclohexyl)-2,2-dimethylpropanoic acid

Structural Information

Molecular Formula
C11H18F2O2
SMILES
CC(C)(CC1CCC(CC1)(F)F)C(=O)O
InChI
InChI=1S/C11H18F2O2/c1-10(2,9(14)15)7-8-3-5-11(12,13)6-4-8/h8H,3-7H2,1-2H3,(H,14,15)
InChIKey
VDUXNUNPAZIPDX-UHFFFAOYSA-N
Compound name
3-(4,4-difluorocyclohexyl)-2,2-dimethylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.12749 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.13477 148.4
[M+Na]+ 243.11671 153.8
[M-H]- 219.12021 147.3
[M+NH4]+ 238.16131 168.0
[M+K]+ 259.09065 152.0
[M+H-H2O]+ 203.12475 142.7
[M+HCOO]- 265.12569 162.3
[M+CH3COO]- 279.14134 186.3
[M+Na-2H]- 241.10216 151.0
[M]+ 220.12694 142.2
[M]- 220.12804 142.2
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

No patent data available for this compound.