CID 604781

133937-72-1

Structural Information

Molecular Formula
C22H31F3O
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C22H31F3O/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(15-13-20)26-22(23,24)25/h12-19H,2-11H2,1H3
InChIKey
AJQMFUYBFQQAKA-UHFFFAOYSA-N
Compound name
1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

367
Patents

368.2327 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.23998 191.9
[M+Na]+ 391.22192 193.5
[M-H]- 367.22542 195.1
[M+NH4]+ 386.26652 203.4
[M+K]+ 407.19586 187.9
[M+H-H2O]+ 351.22996 180.0
[M+HCOO]- 413.23090 201.4
[M+CH3COO]- 427.24655 217.2
[M+Na-2H]- 389.20737 188.5
[M]+ 368.23215 181.0
[M]- 368.23325 181.0
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