CID 262982

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
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

literature stripe

Patent stripe

patents stripe