CID 242797

6943-85-7

Structural Information

Molecular Formula
C24H20Br6O2
SMILES
CC1=C(C(=C(C(=C1Br)C)Br)C)C2=C(C(=C(C(=C2Br)O)C3=C(C(=C(C(=C3C)Br)C)Br)C)Br)O
InChI
InChI=1S/C24H20Br6O2/c1-7-13(8(2)18(26)11(5)17(7)25)15-21(29)24(32)16(22(30)23(15)31)14-9(3)19(27)12(6)20(28)10(14)4/h31-32H,1-6H3
InChIKey
XEILUMHFFZWBGQ-UHFFFAOYSA-N
Compound name
2,5-dibromo-3,6-bis(3,5-dibromo-2,4,6-trimethylphenyl)benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

813.6564 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 814.66368 188.7
[M+Na]+ 836.64562 196.9
[M-H]- 812.64912 192.3
[M+NH4]+ 831.69022 193.2
[M+K]+ 852.61956 187.1
[M+H-H2O]+ 796.65366 201.5
[M+HCOO]- 858.65460 190.3
[M+CH3COO]- 872.67025 254.4
[M+Na-2H]- 834.63107 185.2
[M]+ 813.65585 209.0
[M]- 813.65695 209.0
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.