CID 11142437

1,3-dibromo-2-(2-bromoethyl)benzene

Structural Information

Molecular Formula
C8H7Br3
SMILES
C1=CC(=C(C(=C1)Br)CCBr)Br
InChI
InChI=1S/C8H7Br3/c9-5-4-6-7(10)2-1-3-8(6)11/h1-3H,4-5H2
InChIKey
CVGGEACEOLIVJV-UHFFFAOYSA-N
Compound name
1,3-dibromo-2-(2-bromoethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

339.80978 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.81706 137.1
[M+Na]+ 362.79900 145.6
[M-H]- 338.80250 142.9
[M+NH4]+ 357.84360 152.7
[M+K]+ 378.77294 130.4
[M+H-H2O]+ 322.80704 152.4
[M+HCOO]- 384.80798 148.0
[M+CH3COO]- 398.82363 218.8
[M+Na-2H]- 360.78445 143.3
[M]+ 339.80923 178.1
[M]- 339.81033 178.1
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