CID 4159086

1,2,4,5-tetrabromo-3-methoxy-6-methyl-benzene

Structural Information

Molecular Formula
C8H6Br4O
SMILES
CC1=C(C(=C(C(=C1Br)Br)OC)Br)Br
InChI
InChI=1S/C8H6Br4O/c1-3-4(9)6(11)8(13-2)7(12)5(3)10/h1-2H3
InChIKey
OGXHSRAXVYFXCV-UHFFFAOYSA-N
Compound name
1,2,4,5-tetrabromo-3-methoxy-6-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.7152 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.72248 146.4
[M+Na]+ 456.70442 153.5
[M-H]- 432.70792 150.8
[M+NH4]+ 451.74902 157.1
[M+K]+ 472.67836 140.4
[M+H-H2O]+ 416.71246 164.4
[M+HCOO]- 478.71340 152.5
[M+CH3COO]- 492.72905 236.3
[M+Na-2H]- 454.68987 149.1
[M]+ 433.71465 185.6
[M]- 433.71575 185.6
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.