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

1
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

patents stripe