CID 18130

2990-17-2

Structural Information

Molecular Formula
C14H9Br2Cl3
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)Br)C(Cl)(Cl)Cl)Br
InChI
InChI=1S/C14H9Br2Cl3/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H
InChIKey
YPWDDFGPYBIPBG-UHFFFAOYSA-N
Compound name
1-bromo-4-[1-(4-bromophenyl)-2,2,2-trichloroethyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5026
Patents

439.81366 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.82094 170.0
[M+Na]+ 462.80288 182.5
[M-H]- 438.80638 177.7
[M+NH4]+ 457.84748 186.0
[M+K]+ 478.77682 163.8
[M+H-H2O]+ 422.81092 179.0
[M+HCOO]- 484.81186 172.5
[M+CH3COO]- 498.82751 219.7
[M+Na-2H]- 460.78833 174.6
[M]+ 439.81311 204.3
[M]- 439.81421 204.3
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.