CID 3652803

1,2-bis(alpha,beta-dibromophenethyl)benzene

Structural Information

Molecular Formula
C22H18Br4
SMILES
C1=CC=C(C=C1)C(C(C2=CC=CC=C2C(C(C3=CC=CC=C3)Br)Br)Br)Br
InChI
InChI=1S/C22H18Br4/c23-19(15-9-3-1-4-10-15)21(25)17-13-7-8-14-18(17)22(26)20(24)16-11-5-2-6-12-16/h1-14,19-22H
InChIKey
YSPIMIGNBZAYHT-UHFFFAOYSA-N
Compound name
1,2-bis(1,2-dibromo-2-phenylethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

597.8142 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 598.82148 185.5
[M+Na]+ 620.80342 188.3
[M-H]- 596.80692 190.6
[M+NH4]+ 615.84802 192.8
[M+K]+ 636.77736 176.8
[M+H-H2O]+ 580.81146 203.5
[M+HCOO]- 642.81240 188.9
[M+CH3COO]- 656.82805 190.3
[M+Na-2H]- 618.78887 184.2
[M]+ 597.81365 222.6
[M]- 597.81475 222.6
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.