CID 74127

1,4-bis(dibromomethyl)benzene

Structural Information

Molecular Formula
C8H6Br4
SMILES
C1=CC(=CC=C1C(Br)Br)C(Br)Br
InChI
InChI=1S/C8H6Br4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4,7-8H
InChIKey
VIQBABDKNOOCQD-UHFFFAOYSA-N
Compound name
1,4-bis(dibromomethyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

374
Patents

417.7203 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.72758 152.2
[M+Na]+ 440.70952 158.2
[M-H]- 416.71302 156.3
[M+NH4]+ 435.75412 162.8
[M+K]+ 456.68346 145.2
[M+H-H2O]+ 400.71756 170.5
[M+HCOO]- 462.71850 157.6
[M+CH3COO]- 476.73415 234.7
[M+Na-2H]- 438.69497 154.6
[M]+ 417.71975 190.2
[M]- 417.72085 190.2
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.