CID 14512143

Schembl7566930

Structural Information

Molecular Formula
C21H30F2
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C3=C(C(=CC=C3)F)F
InChI
InChI=1S/C21H30F2/c1-2-4-15-7-9-16(10-8-15)17-11-13-18(14-12-17)19-5-3-6-20(22)21(19)23/h3,5-6,15-18H,2,4,7-14H2,1H3
InChIKey
PPMVGZGWKIQMLA-UHFFFAOYSA-N
Compound name
1,2-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

320.23157 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.23885 185.9
[M+Na]+ 343.22079 197.0
[M+NH4]+ 338.26539 194.3
[M+K]+ 359.19473 187.1
[M-H]- 319.22429 190.2
[M+Na-2H]- 341.20624 191.4
[M]+ 320.23102 188.6
[M]- 320.23212 188.6
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