CID 131617655

1-bromo-5-(bromomethyl)-2,4-dimethylbenzene

Structural Information

Molecular Formula
C9H10Br2
SMILES
CC1=CC(=C(C=C1CBr)Br)C
InChI
InChI=1S/C9H10Br2/c1-6-3-7(2)9(11)4-8(6)5-10/h3-4H,5H2,1-2H3
InChIKey
DIKGLNBITIDDFR-UHFFFAOYSA-N
Compound name
1-bromo-5-(bromomethyl)-2,4-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

275.91492 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.922196 136.8
[M+Na]+ 298.904138 148.9
[M-H]- 274.907644 144.1
[M+NH4]+ 293.948743 157.3
[M+K]+ 314.878078 133.4
[M+H-H2O]+ 258.912180 145.3
[M+HCOO]- 320.913121 153.4
[M+CH3COO]- 334.928771 202.6
[M+Na-2H]- 296.889586 143.8
[M]+ 275.91437142 171.4
[M]- 275.91546858 171.4
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