CID 85829380

3chteft

Structural Information

Molecular Formula
C27H26F4
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC(=C(C=C3)C4=CC(=C(C(=C4)F)F)F)F
InChI
InChI=1S/C27H26F4/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-13-23(24(28)14-21)22-15-25(29)27(31)26(30)16-22/h8-18H,2-7H2,1H3
InChIKey
UMTYSOSQNLAQHZ-UHFFFAOYSA-N
Compound name
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

426.19705 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.20433 206.6
[M+Na]+ 449.18627 213.7
[M-H]- 425.18977 213.2
[M+NH4]+ 444.23087 216.2
[M+K]+ 465.16021 204.3
[M+H-H2O]+ 409.19431 191.8
[M+HCOO]- 471.19525 220.0
[M+CH3COO]- 485.21090 213.9
[M+Na-2H]- 447.17172 201.1
[M]+ 426.19650 198.7
[M]- 426.19760 198.7
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