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

305
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 158.2
[M+Na]+ 440.70952 153.3
[M+NH4]+ 435.75412 159.3
[M+K]+ 456.68346 159.7
[M-H]- 416.71302 160.2
[M+Na-2H]- 438.69497 159.7
[M]+ 417.71975 158.5
[M]- 417.72085 158.5
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

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