CID 83234

1,2-bis(dibromomethyl)benzene

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

2
References

222
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

literature stripe

Patent stripe

patents stripe