CID 3044918

Brn 1405752

Structural Information

Molecular Formula
C25H29FO2S
SMILES
CC1CSC2=C1C3=C(C=C(C=C3OC2(C)C)C(C)CCCC4=CC=C(C=C4)F)O
InChI
InChI=1S/C25H29FO2S/c1-15(6-5-7-17-8-10-19(26)11-9-17)18-12-20(27)23-21(13-18)28-25(3,4)24-22(23)16(2)14-29-24/h8-13,15-16,27H,5-7,14H2,1-4H3
InChIKey
CDHDXFFFAFVYKB-UHFFFAOYSA-N
Compound name
7-[5-(4-fluorophenyl)pentan-2-yl]-1,4,4-trimethyl-1,2-dihydrothieno[2,3-c]chromen-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

412.18723 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.19451 199.4
[M+Na]+ 435.17645 207.8
[M-H]- 411.17995 205.8
[M+NH4]+ 430.22105 215.2
[M+K]+ 451.15039 202.1
[M+H-H2O]+ 395.18449 192.2
[M+HCOO]- 457.18543 208.5
[M+CH3COO]- 471.20108 208.6
[M+Na-2H]- 433.16190 196.8
[M]+ 412.18668 203.1
[M]- 412.18778 203.1
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.