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

23
Patents

160.06998 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07726 128.2
[M+Na]+ 183.05920 138.8
[M-H]- 159.06270 127.6
[M+NH4]+ 178.10380 149.9
[M+K]+ 199.03314 133.8
[M+H-H2O]+ 143.06724 117.8
[M+HCOO]- 205.06818 140.8
[M+CH3COO]- 219.08383 182.1
[M+Na-2H]- 181.04465 133.6
[M]+ 160.06943 116.9
[M]- 160.07053 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