CID 20538260

103072-61-3

Structural Information

Molecular Formula
C31H44
SMILES
CCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)CCC
InChI
InChI=1S/C31H44/c1-3-5-7-25-10-14-27(15-11-25)29-18-22-31(23-19-29)30-20-16-28(17-21-30)26-12-8-24(6-4-2)9-13-26/h16-27H,3-15H2,1-2H3
InChIKey
FNYADSJREQPWKN-UHFFFAOYSA-N
Compound name
1-(4-butylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

416.3443 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.35158 211.1
[M+Na]+ 439.33352 210.2
[M-H]- 415.33702 220.1
[M+NH4]+ 434.37812 220.2
[M+K]+ 455.30746 202.3
[M+H-H2O]+ 399.34156 199.1
[M+HCOO]- 461.34250 223.3
[M+CH3COO]- 475.35815 216.6
[M+Na-2H]- 437.31897 205.3
[M]+ 416.34375 203.0
[M]- 416.34485 203.0
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