CID 22131740

Tfbet5ch

Structural Information

Molecular Formula
C25H31F3
SMILES
CCCCCC1CCC(CC1)CCC2=CC=C(C=C2)C3=CC(=C(C(=C3)F)F)F
InChI
InChI=1S/C25H31F3/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/h12-19H,2-11H2,1H3
InChIKey
SSMCPPWOVJKXGI-UHFFFAOYSA-N
Compound name
1,2,3-trifluoro-5-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

388.2378 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.24508 197.8
[M+Na]+ 411.22702 202.7
[M-H]- 387.23052 202.0
[M+NH4]+ 406.27162 209.3
[M+K]+ 427.20096 194.7
[M+H-H2O]+ 371.23506 185.2
[M+HCOO]- 433.23600 212.0
[M+CH3COO]- 447.25165 225.4
[M+Na-2H]- 409.21247 193.4
[M]+ 388.23725 192.2
[M]- 388.23835 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