CID 15430990

Tfpchet5ch

Structural Information

Molecular Formula
C25H37F3
SMILES
CCCCCC1CCC(CC1)CCC2CCC(CC2)C3=CC(=C(C(=C3)F)F)F
InChI
InChI=1S/C25H37F3/c1-2-3-4-5-18-6-8-19(9-7-18)10-11-20-12-14-21(15-13-20)22-16-23(26)25(28)24(27)17-22/h16-21H,2-15H2,1H3
InChIKey
RMLMKEZBYQRXTB-UHFFFAOYSA-N
Compound name
1,2,3-trifluoro-5-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

394.28473 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.29201 202.2
[M+Na]+ 417.27395 203.9
[M-H]- 393.27745 205.2
[M+NH4]+ 412.31855 213.1
[M+K]+ 433.24789 196.5
[M+H-H2O]+ 377.28199 189.6
[M+HCOO]- 439.28293 212.0
[M+CH3COO]- 453.29858 226.5
[M+Na-2H]- 415.25940 194.7
[M]+ 394.28418 192.2
[M]- 394.28528 192.2
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