CID 19818199

137529-57-8

Structural Information

Molecular Formula
C22H31F3
SMILES
CCC1CCC(CC1)CCC2CCC(CC2)C3=CC(=C(C(=C3)F)F)F
InChI
InChI=1S/C22H31F3/c1-2-15-3-5-16(6-4-15)7-8-17-9-11-18(12-10-17)19-13-20(23)22(25)21(24)14-19/h13-18H,2-12H2,1H3
InChIKey
SOLQDJUTBJEPAR-UHFFFAOYSA-N
Compound name
5-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-1,2,3-trifluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

352.2378 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.24508 188.7
[M+Na]+ 375.22702 191.8
[M-H]- 351.23052 192.4
[M+NH4]+ 370.27162 201.5
[M+K]+ 391.20096 185.1
[M+H-H2O]+ 335.23506 176.8
[M+HCOO]- 397.23600 199.6
[M+CH3COO]- 411.25165 217.7
[M+Na-2H]- 373.21247 183.0
[M]+ 352.23725 177.7
[M]- 352.23835 177.7
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