CID 81368

2,4-dibromo-1,3,5-trimethylbenzene

Structural Information

Molecular Formula
C9H10Br2
SMILES
CC1=CC(=C(C(=C1Br)C)Br)C
InChI
InChI=1S/C9H10Br2/c1-5-4-6(2)9(11)7(3)8(5)10/h4H,1-3H3
InChIKey
CIHJFEWFZJQTFE-UHFFFAOYSA-N
Compound name
2,4-dibromo-1,3,5-trimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

131
Patents

275.91492 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.92220 135.8
[M+Na]+ 298.90414 148.5
[M-H]- 274.90764 143.4
[M+NH4]+ 293.94874 156.5
[M+K]+ 314.87808 133.0
[M+H-H2O]+ 258.91218 144.4
[M+HCOO]- 320.91312 152.4
[M+CH3COO]- 334.92877 203.5
[M+Na-2H]- 296.88959 142.3
[M]+ 275.91437 170.7
[M]- 275.91547 170.7
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