CID 232014

Nsc29016

Structural Information

Molecular Formula
C24H22Br4O2
SMILES
CC1=CC(=C(C(=C1C2=C(C(=C(C(=C2Br)O)C3=C(C(=C(C=C3C)C)Br)C)Br)O)C)Br)C
InChI
InChI=1S/C24H22Br4O2/c1-9-7-11(3)19(25)13(5)15(9)17-21(27)24(30)18(22(28)23(17)29)16-10(2)8-12(4)20(26)14(16)6/h7-8,29-30H,1-6H3
InChIKey
HXLAFKYCDZWECC-UHFFFAOYSA-N
Compound name
2,5-dibromo-3,6-bis(3-bromo-2,4,6-trimethylphenyl)benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

657.8353 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 658.84258 180.6
[M+Na]+ 680.82452 185.3
[M-H]- 656.82802 185.5
[M+NH4]+ 675.86912 187.1
[M+K]+ 696.79846 173.2
[M+H-H2O]+ 640.83256 196.6
[M+HCOO]- 702.83350 183.6
[M+CH3COO]- 716.84915 251.0
[M+Na-2H]- 678.80997 177.7
[M]+ 657.83475 218.9
[M]- 657.83585 218.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.