CID 58840188

5bchtefb

Structural Information

Molecular Formula
C29H36F4
SMILES
CCCCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)C4=CC(=C(C(=C4)F)F)F)F
InChI
InChI=1S/C29H36F4/c1-2-3-4-5-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-15-25(26(30)16-23)24-17-27(31)29(33)28(32)18-24/h14-22H,2-13H2,1H3
InChIKey
DEEWLFIHXVLGBX-UHFFFAOYSA-N
Compound name
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

460.2753 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.28258 219.1
[M+Na]+ 483.26452 222.3
[M-H]- 459.26802 224.1
[M+NH4]+ 478.30912 227.0
[M+K]+ 499.23846 213.0
[M+H-H2O]+ 443.27256 203.9
[M+HCOO]- 505.27350 227.5
[M+CH3COO]- 519.28915 239.1
[M+Na-2H]- 481.24997 209.4
[M]+ 460.27475 207.5
[M]- 460.27585 207.5
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