CID 117280

1,3-bis(1,2-dibromoethyl)benzene

Structural Information

Molecular Formula
C10H10Br4
SMILES
C1=CC(=CC(=C1)C(CBr)Br)C(CBr)Br
InChI
InChI=1S/C10H10Br4/c11-5-9(13)7-2-1-3-8(4-7)10(14)6-12/h1-4,9-10H,5-6H2
InChIKey
BTMPLMJADSPMBB-UHFFFAOYSA-N
Compound name
1,3-bis(1,2-dibromoethyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

445.7516 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.75888 160.1
[M+Na]+ 468.74082 155.1
[M+NH4]+ 463.78542 161.1
[M+K]+ 484.71476 161.3
[M-H]- 444.74432 162.0
[M+Na-2H]- 466.72627 161.4
[M]+ 445.75105 160.3
[M]- 445.75215 160.3
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