CID 15430989

Tfpchet4ch

Structural Information

Molecular Formula
C24H35F3
SMILES
CCCCC1CCC(CC1)CCC2CCC(CC2)C3=CC(=C(C(=C3)F)F)F
InChI
InChI=1S/C24H35F3/c1-2-3-4-17-5-7-18(8-6-17)9-10-19-11-13-20(14-12-19)21-15-22(25)24(27)23(26)16-21/h15-20H,2-14H2,1H3
InChIKey
AEHYAASKPOKJTQ-UHFFFAOYSA-N
Compound name
5-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]-1,2,3-trifluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

380.26907 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.27635 197.7
[M+Na]+ 403.25829 199.9
[M-H]- 379.26179 200.9
[M+NH4]+ 398.30289 209.3
[M+K]+ 419.23223 192.7
[M+H-H2O]+ 363.26633 185.4
[M+HCOO]- 425.26727 207.9
[M+CH3COO]- 439.28292 223.6
[M+Na-2H]- 401.24374 190.8
[M]+ 380.26852 187.4
[M]- 380.26962 187.4
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