CID 41121

54540-76-0

Structural Information

Molecular Formula
C29H37FO2
SMILES
CC1CCC2=C(C1)C3=C(C=C(C=C3OC2(C)C)C(C)C(C)CCCC4=CC=C(C=C4)F)O
InChI
InChI=1S/C29H37FO2/c1-18-9-14-25-24(15-18)28-26(31)16-22(17-27(28)32-29(25,4)5)20(3)19(2)7-6-8-21-10-12-23(30)13-11-21/h10-13,16-20,31H,6-9,14-15H2,1-5H3
InChIKey
IDJOGASRLKFGOQ-UHFFFAOYSA-N
Compound name
3-[6-(4-fluorophenyl)-3-methylhexan-2-yl]-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

436.27777 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.28505 214.5
[M+Na]+ 459.26699 227.8
[M+NH4]+ 454.31159 223.7
[M+K]+ 475.24093 216.7
[M-H]- 435.27049 219.9
[M+Na-2H]- 457.25244 218.7
[M]+ 436.27722 218.3
[M]- 436.27832 218.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.