CID 41119

54540-62-4

Structural Information

Molecular Formula
C28H35FO2
SMILES
CC1CCC2=C(C1)C3=C(C=C(C=C3OC2(C)C)C(C)CCCCC4=CC=C(C=C4)F)O
InChI
InChI=1S/C28H35FO2/c1-18-9-14-24-23(15-18)27-25(30)16-21(17-26(27)31-28(24,3)4)19(2)7-5-6-8-20-10-12-22(29)13-11-20/h10-13,16-19,30H,5-9,14-15H2,1-4H3
InChIKey
XWOGQWGVFZPMTO-UHFFFAOYSA-N
Compound name
3-[6-(4-fluorophenyl)hexan-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

422.26212 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.26940 210.4
[M+Na]+ 445.25134 224.3
[M+NH4]+ 440.29594 219.9
[M+K]+ 461.22528 212.6
[M-H]- 421.25484 216.1
[M+Na-2H]- 443.23679 215.2
[M]+ 422.26157 214.4
[M]- 422.26267 214.4
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.