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

73
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 153.6
[M+Na]+ 298.87262 161.8
[M-H]- 274.87612 151.9
[M+NH4]+ 293.91722 169.4
[M+K]+ 314.84656 156.2
[M+H-H2O]+ 258.88066 151.2
[M+HCOO]- 320.88160 149.4
[M+CH3COO]- 334.89725 197.2
[M+Na-2H]- 296.85807 155.0
[M]+ 275.88285 152.4
[M]- 275.88395 152.4
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