CID 11683281

136609-96-6

Structural Information

Molecular Formula
C29H38F2
SMILES
CCCCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)C4=CC(=C(C=C4)F)F
InChI
InChI=1S/C29H38F2/c1-2-3-4-5-21-6-8-22(9-7-21)23-10-12-24(13-11-23)25-14-16-26(17-15-25)27-18-19-28(30)29(31)20-27/h14-24H,2-13H2,1H3
InChIKey
HRTSRDFZYBCCMA-UHFFFAOYSA-N
Compound name
1,2-difluoro-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

424.29416 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.30144 210.7
[M+Na]+ 447.28338 211.8
[M-H]- 423.28688 217.7
[M+NH4]+ 442.32798 219.7
[M+K]+ 463.25732 203.4
[M+H-H2O]+ 407.29142 197.2
[M+HCOO]- 469.29236 221.4
[M+CH3COO]- 483.30801 216.1
[M+Na-2H]- 445.26883 203.9
[M]+ 424.29361 200.4
[M]- 424.29471 200.4
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

patents stripe