CID 118008773

4-ethynyl-1,1-difluorocyclohexane

Structural Information

Molecular Formula
C8H10F2
SMILES
C#CC1CCC(CC1)(F)F
InChI
InChI=1S/C8H10F2/c1-2-7-3-5-8(9,10)6-4-7/h1,7H,3-6H2
InChIKey
HURUIJYAMCRJOC-UHFFFAOYSA-N
Compound name
4-ethynyl-1,1-difluorocyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

144.07506 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08234 123.6
[M+Na]+ 167.06428 133.4
[M-H]- 143.06778 123.7
[M+NH4]+ 162.10888 144.6
[M+K]+ 183.03822 129.1
[M+H-H2O]+ 127.07232 112.1
[M+HCOO]- 189.07326 137.3
[M+CH3COO]- 203.08891 182.9
[M+Na-2H]- 165.04973 128.5
[M]+ 144.07451 112.1
[M]- 144.07561 112.1
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

patents stripe