CID 41121

54540-76-0

Structural Information

Molecular Formula

SMILES

CC1CCC2=C(C1)C3=C(C=C(C=C3OC2(C)C)C(C)C(C)CCCC4=CC=C(C=C4)F)O

InChI

InChI=1S/C29H37FO2/c1-18-9-14-25-24(15-18)28-26(31)16-22(17-27(28)32-29(25,4)5)20(3)19(2)7-6-8-21-10-12-23(30)13-11-21/h10-13,16-20,31H,6-9,14-15H2,1-5H3

InChIKey

IDJOGASRLKFGOQ-UHFFFAOYSA-N

Compound name

3-[6-(4-fluorophenyl)-3-methylhexan-2-yl]-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol

Related CIDs

2D Structure

1
Annotation Hits: 1
References: 1
Patents: 436.27777 Da
Monoisotopic Mass: 7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	437.28505	213.6
[M+Na]+	459.26699	218.6
[M-H]-	435.27049	218.6
[M+NH4]+	454.31159	225.2
[M+K]+	475.24093	213.2
[M+H-H2O]+	419.27503	203.1
[M+HCOO]-	481.27597	222.2
[M+CH3COO]-	495.29162	235.8
[M+Na-2H]-	457.25244	210.3
[M]+	436.27722	212.4
[M]-	436.27832	212.4

Literature stripe

Patent stripe