CID 123987847

4-ethenyl-1,1-difluorocyclohexane

Structural Information

Molecular Formula
C8H12F2
SMILES
C=CC1CCC(CC1)(F)F
InChI
InChI=1S/C8H12F2/c1-2-7-3-5-8(9,10)6-4-7/h2,7H,1,3-6H2
InChIKey
QIZBNYOMPZOYNX-UHFFFAOYSA-N
Compound name
4-ethenyl-1,1-difluorocyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

146.09071 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.09799 128.0
[M+Na]+ 169.07993 134.9
[M-H]- 145.08343 128.6
[M+NH4]+ 164.12453 151.3
[M+K]+ 185.05387 132.9
[M+H-H2O]+ 129.08797 121.9
[M+HCOO]- 191.08891 146.6
[M+CH3COO]- 205.10456 174.8
[M+Na-2H]- 167.06538 133.0
[M]+ 146.09016 120.7
[M]- 146.09126 120.7
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