CID 41120

54540-72-6

Structural Information

Molecular Formula
C28H35FO2
SMILES
CC1CCC2=C(C1)C3=C(C=C(C=C3OC2(C)C)C(C)C(C)CCC4=CC=C(C=C4)F)O
InChI
InChI=1S/C28H35FO2/c1-17-6-13-24-23(14-17)27-25(30)15-21(16-26(27)31-28(24,4)5)19(3)18(2)7-8-20-9-11-22(29)12-10-20/h9-12,15-19,30H,6-8,13-14H2,1-5H3
InChIKey
VHIAIDUNUBQPPZ-UHFFFAOYSA-N
Compound name
3-[5-(4-fluorophenyl)-3-methylpentan-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

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.26940 209.0
[M+Na]+ 445.25134 214.4
[M-H]- 421.25484 214.2
[M+NH4]+ 440.29594 221.2
[M+K]+ 461.22528 209.3
[M+H-H2O]+ 405.25938 198.8
[M+HCOO]- 467.26032 218.0
[M+CH3COO]- 481.27597 232.9
[M+Na-2H]- 443.23679 206.3
[M]+ 422.26157 207.6
[M]- 422.26267 207.6
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