CID 15430979

137019-94-4

Structural Information

Molecular Formula
C20H21F3
SMILES
CCC1CCC(CC1)C2=CC=C(C=C2)C3=CC(=C(C(=C3)F)F)F
InChI
InChI=1S/C20H21F3/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17-11-18(21)20(23)19(22)12-17/h7-14H,2-6H2,1H3
InChIKey
IZQPXKDLSVKAMJ-UHFFFAOYSA-N
Compound name
5-[4-(4-ethylcyclohexyl)phenyl]-1,2,3-trifluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
Patents

318.15955 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.16683 174.8
[M+Na]+ 341.14877 182.0
[M-H]- 317.15227 180.1
[M+NH4]+ 336.19337 189.2
[M+K]+ 357.12271 175.1
[M+H-H2O]+ 301.15681 163.3
[M+HCOO]- 363.15775 190.8
[M+CH3COO]- 377.17340 210.7
[M+Na-2H]- 339.13422 173.3
[M]+ 318.15900 167.6
[M]- 318.16010 167.6
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