CID 74241

1,4-dibromo-2,3,5,6-tetramethylbenzene

Structural Information

Molecular Formula
C10H12Br2
SMILES
CC1=C(C(=C(C(=C1Br)C)C)Br)C
InChI
InChI=1S/C10H12Br2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h1-4H3
InChIKey
IEWAQZBDJDWANM-UHFFFAOYSA-N
Compound name
1,4-dibromo-2,3,5,6-tetramethylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

139
Patents

289.93057 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.93785 146.7
[M+Na]+ 312.91979 143.3
[M+NH4]+ 307.96439 149.4
[M+K]+ 328.89373 148.9
[M-H]- 288.92329 148.2
[M+Na-2H]- 310.90524 148.6
[M]+ 289.93002 145.7
[M]- 289.93112 145.7
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

patents stripe