CID 14985100

137810-19-6

Structural Information

Molecular Formula
C22H30F4O
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)OC(F)(F)F)F
InChI
InChI=1S/C22H30F4O/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-21(20(23)14-19)27-22(24,25)26/h12-18H,2-11H2,1H3
InChIKey
KDUUQRLPPVKDSR-UHFFFAOYSA-N
Compound name
2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]-1-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

386.22327 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.23055 195.6
[M+Na]+ 409.21249 198.3
[M-H]- 385.21599 197.8
[M+NH4]+ 404.25709 206.6
[M+K]+ 425.18643 192.2
[M+H-H2O]+ 369.22053 183.0
[M+HCOO]- 431.22147 204.0
[M+CH3COO]- 445.23712 221.1
[M+Na-2H]- 407.19794 190.8
[M]+ 386.22272 183.9
[M]- 386.22382 183.9
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