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

65
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

literature stripe

Patent stripe

patents stripe