CID 14473877

119990-81-7

Structural Information

Molecular Formula
C27H34F2
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)C4=CC(=C(C=C4)F)F
InChI
InChI=1S/C27H34F2/c1-2-3-19-4-6-20(7-5-19)21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-26(28)27(29)18-25/h12-22H,2-11H2,1H3
InChIKey
DOTCXRSWJCSMMA-UHFFFAOYSA-N
Compound name
1,2-difluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

396.26285 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.27013 201.9
[M+Na]+ 419.25207 204.0
[M-H]- 395.25557 209.4
[M+NH4]+ 414.29667 212.1
[M+K]+ 435.22601 196.0
[M+H-H2O]+ 379.26011 188.9
[M+HCOO]- 441.26105 213.3
[M+CH3COO]- 455.27670 208.2
[M+Na-2H]- 417.23752 196.2
[M]+ 396.26230 191.0
[M]- 396.26340 191.0
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