CID 4102986

1,2,3-tribromo-4,5,6-trimethylbenzene

Structural Information

Molecular Formula
C9H9Br3
SMILES
CC1=C(C(=C(C(=C1C)Br)Br)Br)C
InChI
InChI=1S/C9H9Br3/c1-4-5(2)7(10)9(12)8(11)6(4)3/h1-3H3
InChIKey
OPGNYUZUCQDMMG-UHFFFAOYSA-N
Compound name
1,2,3-tribromo-4,5,6-trimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

353.82544 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.832716 138.1
[M+Na]+ 376.814658 147.7
[M-H]- 352.818164 144.3
[M+NH4]+ 371.859263 153.8
[M+K]+ 392.788598 132.2
[M+H-H2O]+ 336.822700 153.1
[M+HCOO]- 398.823641 148.6
[M+CH3COO]- 412.839291 222.2
[M+Na-2H]- 374.800106 142.8
[M]+ 353.82489142 179.6
[M]- 353.82598858 179.6
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

patents stripe