CID 20426

4399-08-0

Structural Information

Molecular Formula
C14H9Br3Cl2
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Br)(Br)Br)Cl
InChI
InChI=1S/C14H9Br3Cl2/c15-14(16,17)13(9-1-5-11(18)6-2-9)10-3-7-12(19)8-4-10/h1-8,13H
InChIKey
CCSXMKDJTJMYHF-UHFFFAOYSA-N
Compound name
1-chloro-4-[2,2,2-tribromo-1-(4-chlorophenyl)ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.76315 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.77043 171.2
[M+Na]+ 506.75237 180.1
[M-H]- 482.75587 178.0
[M+NH4]+ 501.79697 184.2
[M+K]+ 522.72631 163.0
[M+H-H2O]+ 466.76041 186.6
[M+HCOO]- 528.76135 174.4
[M+CH3COO]- 542.77700 230.3
[M+Na-2H]- 504.73782 174.4
[M]+ 483.76260 212.3
[M]- 483.76370 212.3
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.