CID 20223871

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

Structural Information

Molecular Formula
C9H10Br2
SMILES
CC1=C(C=C(C=C1)C(C)Br)Br
InChI
InChI=1S/C9H10Br2/c1-6-3-4-8(7(2)10)5-9(6)11/h3-5,7H,1-2H3
InChIKey
AQPXMAXXICECCZ-UHFFFAOYSA-N
Compound name
2-bromo-4-(1-bromoethyl)-1-methylbenzene
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 138.8
[M+Na]+ 298.904138 150.0
[M-H]- 274.907644 145.9
[M+NH4]+ 293.948743 159.1
[M+K]+ 314.878078 134.8
[M+H-H2O]+ 258.912180 147.3
[M+HCOO]- 320.913121 154.6
[M+CH3COO]- 334.928771 202.4
[M+Na-2H]- 296.889586 145.3
[M]+ 275.91437142 172.7
[M]- 275.91546858 172.7
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