CID 117713247

5chtfmeotft

Structural Information

Molecular Formula
C30H30F6O
SMILES
CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC(=C(C=C3)C4=CC(=C(C(=C4)F)OC(F)(F)F)F)F
InChI
InChI=1S/C30H30F6O/c1-2-3-4-5-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-15-25(26(31)16-23)24-17-27(32)29(28(33)18-24)37-30(34,35)36/h10-20H,2-9H2,1H3
InChIKey
BKCXGJQATHUIAB-UHFFFAOYSA-N
Compound name
1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-2-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

520.2201 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.22738 231.4
[M+Na]+ 543.20932 237.6
[M-H]- 519.21282 234.9
[M+NH4]+ 538.25392 236.9
[M+K]+ 559.18326 228.0
[M+H-H2O]+ 503.21736 214.2
[M+HCOO]- 565.21830 239.9
[M+CH3COO]- 579.23395 247.8
[M+Na-2H]- 541.19477 223.7
[M]+ 520.21955 222.9
[M]- 520.22065 222.9
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