CID 284971

1,2,4,5-tetrakis(bromomethyl)benzene

Structural Information

Molecular Formula
C10H10Br4
SMILES
C1=C(C(=CC(=C1CBr)CBr)CBr)CBr
InChI
InChI=1S/C10H10Br4/c11-3-7-1-8(4-12)10(6-14)2-9(7)5-13/h1-2H,3-6H2
InChIKey
UTXIKCCNBUIWPT-UHFFFAOYSA-N
Compound name
1,2,4,5-tetrakis(bromomethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

511
Patents

445.7516 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.758876 151.5
[M+Na]+ 468.740818 157.9
[M-H]- 444.744324 155.6
[M+NH4]+ 463.785423 162.0
[M+K]+ 484.714758 144.5
[M+H-H2O]+ 428.748860 169.6
[M+HCOO]- 490.749801 157.4
[M+CH3COO]- 504.765451 236.8
[M+Na-2H]- 466.726266 154.1
[M]+ 445.75105142 190.3
[M]- 445.75214858 190.3
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