CID 512953

2-[5,6,7,8-tetrachloro-2-(3-methoxy-4-methyl-2-naphthyl)-2,3-dihydro-1,4-benzodioxin-3-yl]propan-2-ol

Structural Information

Molecular Formula
C23H20Cl4O4
SMILES
CC1=C(C(=CC2=CC=CC=C12)C3C(OC4=C(O3)C(=C(C(=C4Cl)Cl)Cl)Cl)C(C)(C)O)OC
InChI
InChI=1S/C23H20Cl4O4/c1-10-12-8-6-5-7-11(12)9-13(18(10)29-4)19-22(23(2,3)28)31-21-17(27)15(25)14(24)16(26)20(21)30-19/h5-9,19,22,28H,1-4H3
InChIKey
ITQWSUYZACPMAS-UHFFFAOYSA-N
Compound name
2-[5,6,7,8-tetrachloro-2-(3-methoxy-4-methylnaphthalen-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

500.01157 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.01885 212.0
[M+Na]+ 523.00079 223.1
[M-H]- 499.00429 217.6
[M+NH4]+ 518.04539 220.6
[M+K]+ 538.97473 219.6
[M+H-H2O]+ 483.00883 206.4
[M+HCOO]- 545.00977 205.6
[M+CH3COO]- 559.02542 219.5
[M+Na-2H]- 520.98624 211.3
[M]+ 500.01102 220.5
[M]- 500.01212 220.5
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.