CID 2752606

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

Structural Information

Molecular Formula
C10H12Br2
SMILES
CC1=C(C(=C(C(=C1C)Br)Br)C)C
InChI
InChI=1S/C10H12Br2/c1-5-6(2)8(4)10(12)9(11)7(5)3/h1-4H3
InChIKey
VEZJOZSIGSNYEB-UHFFFAOYSA-N
Compound name
1,2-dibromo-3,4,5,6-tetramethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

289.93057 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.937846 138.9
[M+Na]+ 312.919788 151.9
[M-H]- 288.923294 146.6
[M+NH4]+ 307.964393 159.4
[M+K]+ 328.893728 136.3
[M+H-H2O]+ 272.927830 147.3
[M+HCOO]- 334.928771 155.1
[M+CH3COO]- 348.944421 206.7
[M+Na-2H]- 310.905236 144.5
[M]+ 289.93002142 174.2
[M]- 289.93111858 174.2
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