CID 5220483

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

Structural Information

Molecular Formula
C9H9Br3
SMILES
CC1=C(C(=C(C(=C1Br)C)Br)Br)C
InChI
InChI=1S/C9H9Br3/c1-4-5(2)8(11)9(12)6(3)7(4)10/h1-3H3
InChIKey
WPHRROGPXRIHEG-UHFFFAOYSA-N
Compound name
1,2,4-tribromo-3,5,6-trimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

353.82544 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.83272 138.1
[M+Na]+ 376.81466 147.7
[M-H]- 352.81816 144.3
[M+NH4]+ 371.85926 153.8
[M+K]+ 392.78860 132.2
[M+H-H2O]+ 336.82270 153.1
[M+HCOO]- 398.82364 148.6
[M+CH3COO]- 412.83929 222.2
[M+Na-2H]- 374.80011 142.8
[M]+ 353.82489 179.6
[M]- 353.82599 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