CID 22131736

145131-04-0

Structural Information

Molecular Formula
C23H27F3
SMILES
CCCC1CCC(CC1)CCC2=CC=C(C=C2)C3=CC(=C(C(=C3)F)F)F
InChI
InChI=1S/C23H27F3/c1-2-3-16-4-6-17(7-5-16)8-9-18-10-12-19(13-11-18)20-14-21(24)23(26)22(25)15-20/h10-17H,2-9H2,1H3
InChIKey
DXMHJOLUXKCOPU-UHFFFAOYSA-N
Compound name
1,2,3-trifluoro-5-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

360.20648 Da
Monoisotopic Mass

8.7
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

No literature data available for this compound.

Patent stripe

patents stripe