CID 4131142

1-bromo-4-(1,2-dibromoethyl)benzene

Structural Information

Molecular Formula
C8H7Br3
SMILES
C1=CC(=CC=C1C(CBr)Br)Br
InChI
InChI=1S/C8H7Br3/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8H,5H2
InChIKey
NRUIEVHCKHZAHT-UHFFFAOYSA-N
Compound name
1-bromo-4-(1,2-dibromoethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

339.80978 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.81706 139.8
[M+Na]+ 362.79900 147.6
[M-H]- 338.80250 145.4
[M+NH4]+ 357.84360 155.2
[M+K]+ 378.77294 132.5
[M+H-H2O]+ 322.80704 155.0
[M+HCOO]- 384.80798 150.0
[M+CH3COO]- 398.82363 218.7
[M+Na-2H]- 360.78445 145.4
[M]+ 339.80923 180.2
[M]- 339.81033 180.2
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.