CID 125480698

1-ethynyl-4,4-difluorocyclohexan-1-ol

Structural Information

Molecular Formula
C8H10F2O
SMILES
C#CC1(CCC(CC1)(F)F)O
InChI
InChI=1S/C8H10F2O/c1-2-7(11)3-5-8(9,10)6-4-7/h1,11H,3-6H2
InChIKey
VIYXTSQEIPRJEZ-UHFFFAOYSA-N
Compound name
1-ethynyl-4,4-difluorocyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

160.06998 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.077256 128.2
[M+Na]+ 183.059198 138.8
[M-H]- 159.062704 127.6
[M+NH4]+ 178.103803 149.9
[M+K]+ 199.033138 133.8
[M+H-H2O]+ 143.067240 117.8
[M+HCOO]- 205.068181 140.8
[M+CH3COO]- 219.083831 182.1
[M+Na-2H]- 181.044646 133.6
[M]+ 160.06943142 116.9
[M]- 160.07052858 116.9
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