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 209.5
[M+Na]+ 445.25134 215.3
[M-H]- 421.25484 214.7
[M+NH4]+ 440.29594 221.8
[M+K]+ 461.22528 209.5
[M+H-H2O]+ 405.25938 198.9
[M+HCOO]- 467.26032 219.5
[M+CH3COO]- 481.27597 231.9
[M+Na-2H]- 443.23679 207.8
[M]+ 422.26157 208.6
[M]- 422.26267 208.6
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.