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

0
Patents

275.91492 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.92220 137.7
[M+Na]+ 298.90414 149.1
[M-H]- 274.90764 144.7
[M+NH4]+ 293.94874 158.0
[M+K]+ 314.87808 133.6
[M+H-H2O]+ 258.91218 146.2
[M+HCOO]- 320.91312 154.3
[M+CH3COO]- 334.92877 201.8
[M+Na-2H]- 296.88959 145.2
[M]+ 275.91437 172.1
[M]- 275.91547 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

No patent data available for this compound.