CID 97018

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

Structural Information

Molecular Formula
C10H10Br4
SMILES
C1=CC(=CC=C1C(CBr)Br)C(CBr)Br
InChI
InChI=1S/C10H10Br4/c11-5-9(13)7-1-2-8(4-3-7)10(14)6-12/h1-4,9-10H,5-6H2
InChIKey
KDBQQANTDCVPDZ-UHFFFAOYSA-N
Compound name
1,4-bis(1,2-dibromoethyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
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 157.0
[M+Na]+ 468.74082 162.7
[M-H]- 444.74432 161.0
[M+NH4]+ 463.78542 167.2
[M+K]+ 484.71476 149.4
[M+H-H2O]+ 428.74886 175.2
[M+HCOO]- 490.74980 162.1
[M+CH3COO]- 504.76545 236.6
[M+Na-2H]- 466.72627 158.8
[M]+ 445.75105 195.2
[M]- 445.75215 195.2
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

patents stripe