CID 92015848

3chtfmeodfb

Structural Information

Molecular Formula
C22H23F5O
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC(=C(C(=C3)F)OC(F)(F)F)F
InChI
InChI=1S/C22H23F5O/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18-12-19(23)21(20(24)13-18)28-22(25,26)27/h8-15H,2-7H2,1H3
InChIKey
ZCSLYERBXWOOJT-UHFFFAOYSA-N
Compound name
1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

398.1669 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.17418 195.1
[M+Na]+ 421.15612 201.8
[M-H]- 397.15962 197.5
[M+NH4]+ 416.20072 206.1
[M+K]+ 437.13006 194.8
[M+H-H2O]+ 381.16416 181.5
[M+HCOO]- 443.16510 206.7
[M+CH3COO]- 457.18075 223.9
[M+Na-2H]- 419.14157 191.9
[M]+ 398.16635 187.0
[M]- 398.16745 187.0
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