CID 12010662

Dtxsid90475768

Structural Information

Molecular Formula
C20H26F2
SMILES
C=CC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)F)F
InChI
InChI=1S/C20H26F2/c1-2-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18-11-12-19(21)20(22)13-18/h2,11-17H,1,3-10H2
InChIKey
ALFLDQIYGBNZCO-UHFFFAOYSA-N
Compound name
4-[4-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

873
Patents

304.20026 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.20754 174.7
[M+Na]+ 327.18948 178.0
[M-H]- 303.19298 179.9
[M+NH4]+ 322.23408 189.1
[M+K]+ 343.16342 171.6
[M+H-H2O]+ 287.19752 164.2
[M+HCOO]- 349.19846 187.7
[M+CH3COO]- 363.21411 207.1
[M+Na-2H]- 325.17493 171.5
[M]+ 304.19971 163.1
[M]- 304.20081 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe