CID 15702087

137019-95-5

Structural Information

Molecular Formula
C23H27F3
SMILES
CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC(=C(C(=C3)F)F)F
InChI
InChI=1S/C23H27F3/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-21(24)23(26)22(25)15-20/h10-17H,2-9H2,1H3
InChIKey
PRYCYWMMSZSXBK-UHFFFAOYSA-N
Compound name
1,2,3-trifluoro-5-[4-(4-pentylcyclohexyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

239
Patents

360.20648 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.21376 188.7
[M+Na]+ 383.19570 194.5
[M-H]- 359.19920 193.3
[M+NH4]+ 378.24030 201.3
[M+K]+ 399.16964 186.9
[M+H-H2O]+ 343.20374 176.5
[M+HCOO]- 405.20468 203.6
[M+CH3COO]- 419.22033 219.5
[M+Na-2H]- 381.18115 185.4
[M]+ 360.20593 182.4
[M]- 360.20703 182.4
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