CID 138986521

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

Structural Information

Molecular Formula
C10H16F2O2
SMILES
CC(CC1CCC(CC1)(F)F)C(=O)O
InChI
InChI=1S/C10H16F2O2/c1-7(9(13)14)6-8-2-4-10(11,12)5-3-8/h7-8H,2-6H2,1H3,(H,13,14)
InChIKey
XBPRGJBTLNCQOS-UHFFFAOYSA-N
Compound name
3-(4,4-difluorocyclohexyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.11183 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11911 144.8
[M+Na]+ 229.10105 149.9
[M-H]- 205.10455 143.7
[M+NH4]+ 224.14565 164.7
[M+K]+ 245.07499 148.3
[M+H-H2O]+ 189.10909 138.6
[M+HCOO]- 251.11003 159.6
[M+CH3COO]- 265.12568 183.9
[M+Na-2H]- 227.08650 145.7
[M]+ 206.11128 138.0
[M]- 206.11238 138.1
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.