CID 20591358

Tfmeofpo-cf2-3bch

Structural Information

Molecular Formula
C23H30F6O2
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C(OC3=CC(=C(C=C3)OC(F)(F)F)F)(F)F
InChI
InChI=1S/C23H30F6O2/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)22(25,26)30-19-12-13-21(20(24)14-19)31-23(27,28)29/h12-18H,2-11H2,1H3
InChIKey
YSUAVFMMMXXKOM-UHFFFAOYSA-N
Compound name
4-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-2-fluoro-1-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

452.215 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.22228 209.7
[M+Na]+ 475.20422 212.4
[M-H]- 451.20772 209.1
[M+NH4]+ 470.24882 217.8
[M+K]+ 491.17816 206.5
[M+H-H2O]+ 435.21226 195.3
[M+HCOO]- 497.21320 214.1
[M+CH3COO]- 511.22885 232.0
[M+Na-2H]- 473.18967 204.3
[M]+ 452.21445 196.9
[M]- 452.21555 196.9
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

patents stripe