CID 53445120

1-ethyl-4,4-difluorocyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C9H14F2O2
SMILES
CCC1(CCC(CC1)(F)F)C(=O)O
InChI
InChI=1S/C9H14F2O2/c1-2-8(7(12)13)3-5-9(10,11)6-4-8/h2-6H2,1H3,(H,12,13)
InChIKey
YBAXHQHIEFEKIF-UHFFFAOYSA-N
Compound name
1-ethyl-4,4-difluorocyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

192.09619 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.10347 144.1
[M+Na]+ 215.08541 152.0
[M+NH4]+ 210.13001 153.1
[M+K]+ 231.05935 143.7
[M-H]- 191.08891 141.8
[M+Na-2H]- 213.07086 149.2
[M]+ 192.09564 144.5
[M]- 192.09674 144.5
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