CID 117713231

4chf3chb

Structural Information

Molecular Formula
C31H43F
SMILES
CCCCC1CCC(CC1)C2=CC(=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)CCC)F
InChI
InChI=1S/C31H43F/c1-3-5-7-24-10-14-27(15-11-24)29-20-21-30(31(32)22-29)28-18-16-26(17-19-28)25-12-8-23(6-4-2)9-13-25/h16-25,27H,3-15H2,1-2H3
InChIKey
DLFWKLNXSMZQBE-UHFFFAOYSA-N
Compound name
4-(4-butylcyclohexyl)-2-fluoro-1-[4-(4-propylcyclohexyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

434.33487 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.34215 215.4
[M+Na]+ 457.32409 215.5
[M-H]- 433.32759 223.3
[M+NH4]+ 452.36869 224.0
[M+K]+ 473.29803 207.2
[M+H-H2O]+ 417.33213 202.5
[M+HCOO]- 479.33307 226.4
[M+CH3COO]- 493.34872 234.6
[M+Na-2H]- 455.30954 208.2
[M]+ 434.33432 206.7
[M]- 434.33542 206.7
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