CID 165647048

1,1-difluoro-4-(prop-2-yn-1-yl)cyclohexane

Structural Information

Molecular Formula
C9H12F2
SMILES
C#CCC1CCC(CC1)(F)F
InChI
InChI=1S/C9H12F2/c1-2-3-8-4-6-9(10,11)7-5-8/h1,8H,3-7H2
InChIKey
REARXAMPSAXJMM-UHFFFAOYSA-N
Compound name
1,1-difluoro-4-prop-2-ynylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.09071 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.09799 127.5
[M+Na]+ 181.07993 137.0
[M-H]- 157.08343 127.5
[M+NH4]+ 176.12453 148.1
[M+K]+ 197.05387 132.5
[M+H-H2O]+ 141.08797 115.9
[M+HCOO]- 203.08891 141.0
[M+CH3COO]- 217.10456 185.7
[M+Na-2H]- 179.06538 131.9
[M]+ 158.09016 116.4
[M]- 158.09126 116.4
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.