CID 163207484

3chchetfetodfp

Structural Information

Molecular Formula
C23H29F5O
SMILES
CCCC1CCC(CC1)C2CCC(=CC2)C3=C(C(=C(C=C3)OCC(F)(F)F)F)F
InChI
InChI=1S/C23H29F5O/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-20(22(25)21(19)24)29-14-23(26,27)28/h10,12-13,15-17H,2-9,11,14H2,1H3
InChIKey
KLKVWPZSWIEBNS-UHFFFAOYSA-N
Compound name
2,3-difluoro-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(2,2,2-trifluoroethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

416.21387 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.22115 202.4
[M+Na]+ 439.20309 206.7
[M-H]- 415.20659 203.7
[M+NH4]+ 434.24769 212.5
[M+K]+ 455.17703 199.8
[M+H-H2O]+ 399.21113 188.7
[M+HCOO]- 461.21207 210.7
[M+CH3COO]- 475.22772 227.6
[M+Na-2H]- 437.18854 196.7
[M]+ 416.21332 191.7
[M]- 416.21442 191.7
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