CID 22131608

Tfbet4ch

Structural Information

Molecular Formula
C24H29F3
SMILES
CCCCC1CCC(CC1)CCC2=CC=C(C=C2)C3=CC(=C(C(=C3)F)F)F
InChI
InChI=1S/C24H29F3/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/h11-18H,2-10H2,1H3
InChIKey
WWLHWBQZUKUOKI-UHFFFAOYSA-N
Compound name
5-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-1,2,3-trifluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

374.22214 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.22942 193.3
[M+Na]+ 397.21136 198.6
[M-H]- 373.21486 197.7
[M+NH4]+ 392.25596 205.3
[M+K]+ 413.18530 190.8
[M+H-H2O]+ 357.21940 180.9
[M+HCOO]- 419.22034 207.8
[M+CH3COO]- 433.23599 222.5
[M+Na-2H]- 395.19681 189.5
[M]+ 374.22159 187.3
[M]- 374.22269 187.3
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