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 213.6
[M+Na]+ 459.26699 218.6
[M-H]- 435.27049 218.6
[M+NH4]+ 454.31159 225.2
[M+K]+ 475.24093 213.2
[M+H-H2O]+ 419.27503 203.1
[M+HCOO]- 481.27597 222.2
[M+CH3COO]- 495.29162 235.8
[M+Na-2H]- 457.25244 210.3
[M]+ 436.27722 212.4
[M]- 436.27832 212.4
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.