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

1
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

literature stripe

Patent stripe

patents stripe