CID 64916769

1-ethynyl-4-(trifluoromethyl)cyclohexan-1-ol

Structural Information

Molecular Formula
C9H11F3O
SMILES
C#CC1(CCC(CC1)C(F)(F)F)O
InChI
InChI=1S/C9H11F3O/c1-2-8(13)5-3-7(4-6-8)9(10,11)12/h1,7,13H,3-6H2
InChIKey
XOZIJMOHCIKIMN-UHFFFAOYSA-N
Compound name
1-ethynyl-4-(trifluoromethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.0762 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08348 136.5
[M+Na]+ 215.06542 145.8
[M-H]- 191.06892 134.1
[M+NH4]+ 210.11002 155.1
[M+K]+ 231.03936 141.3
[M+H-H2O]+ 175.07346 124.7
[M+HCOO]- 237.07440 146.3
[M+CH3COO]- 251.09005 187.2
[M+Na-2H]- 213.05087 140.2
[M]+ 192.07565 123.2
[M]- 192.07675 123.2
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.