CID 130863685

4-bromo-1-(2-bromoethyl)-2-methylbenzene

Structural Information

Molecular Formula
C9H10Br2
SMILES
CC1=C(C=CC(=C1)Br)CCBr
InChI
InChI=1S/C9H10Br2/c1-7-6-9(11)3-2-8(7)4-5-10/h2-3,6H,4-5H2,1H3
InChIKey
WDVUUXJKNWMROG-UHFFFAOYSA-N
Compound name
4-bromo-1-(2-bromoethyl)-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

275.91492 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.922196 137.7
[M+Na]+ 298.904138 149.1
[M-H]- 274.907644 144.7
[M+NH4]+ 293.948743 158.0
[M+K]+ 314.878078 133.6
[M+H-H2O]+ 258.912180 146.2
[M+HCOO]- 320.913121 154.3
[M+CH3COO]- 334.928771 201.8
[M+Na-2H]- 296.889586 145.2
[M]+ 275.91437142 172.1
[M]- 275.91546858 172.1
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