CID 15218817

3bchtefetodfp

Structural Information

Molecular Formula
C23H30F6O
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C(=C3)F)OC(C(F)(F)F)F)F
InChI
InChI=1S/C23H30F6O/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18-12-19(24)21(20(25)13-18)30-22(26)23(27,28)29/h12-17,22H,2-11H2,1H3
InChIKey
BHUQTLYIMGHNHC-UHFFFAOYSA-N
Compound name
1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]-2-(1,2,2,2-tetrafluoroethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.2201 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.22738 206.9
[M+Na]+ 459.20932 209.9
[M-H]- 435.21282 206.5
[M+NH4]+ 454.25392 215.8
[M+K]+ 475.18326 203.3
[M+H-H2O]+ 419.21736 192.5
[M+HCOO]- 481.21830 211.7
[M+CH3COO]- 495.23395 231.5
[M+Na-2H]- 457.19477 198.4
[M]+ 436.21955 192.9
[M]- 436.22065 192.9
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

No patent data available for this compound.