CID 640222

1,4-dibromo-2,5-bis(bromomethyl)benzene

Structural Information

Molecular Formula
C8H6Br4
SMILES
C1=C(C(=CC(=C1Br)CBr)Br)CBr
InChI
InChI=1S/C8H6Br4/c9-3-5-1-7(11)6(4-10)2-8(5)12/h1-2H,3-4H2
InChIKey
UOCMTKLYRROETA-UHFFFAOYSA-N
Compound name
1,4-dibromo-2,5-bis(bromomethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

58
Patents

417.7203 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.72758 146.7
[M+Na]+ 440.70952 153.5
[M-H]- 416.71302 151.0
[M+NH4]+ 435.75412 157.6
[M+K]+ 456.68346 140.2
[M+H-H2O]+ 400.71756 165.0
[M+HCOO]- 462.71850 152.9
[M+CH3COO]- 476.73415 234.9
[M+Na-2H]- 438.69497 149.9
[M]+ 417.71975 185.4
[M]- 417.72085 185.4
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.