CID 75967

1-(dichloromethyl)-2-(trichloromethyl)benzene

Structural Information

Molecular Formula
C8H5Cl5
SMILES
C1=CC=C(C(=C1)C(Cl)Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C8H5Cl5/c9-7(10)5-3-1-2-4-6(5)8(11,12)13/h1-4,7H
InChIKey
UXMNSLMVCBBGCW-UHFFFAOYSA-N
Compound name
1-(dichloromethyl)-2-(trichloromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

275.8834 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.89068 162.4
[M+Na]+ 298.87262 176.2
[M+NH4]+ 293.91722 170.7
[M+K]+ 314.84656 167.6
[M-H]- 274.87612 163.0
[M+Na-2H]- 296.85807 168.2
[M]+ 275.88285 165.9
[M]- 275.88395 165.9
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

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