CID 37807

37680-73-2

Structural Information

Molecular Formula
C12H5Cl5
SMILES
C1=CC(=C(C=C1Cl)C2=CC(=C(C=C2Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H5Cl5/c13-6-1-2-9(14)7(3-6)8-4-11(16)12(17)5-10(8)15/h1-5H
InChIKey
LAHWLEDBADHJGA-UHFFFAOYSA-N
Compound name
1,2,4-trichloro-5-(2,5-dichlorophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

88
References

265
Patents

323.8834 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.89068 171.4
[M+Na]+ 346.87262 188.8
[M+NH4]+ 341.91722 180.6
[M+K]+ 362.84656 177.9
[M-H]- 322.87612 175.0
[M+Na-2H]- 344.85807 179.4
[M]+ 323.88285 176.5
[M]- 323.88395 176.5
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