CID 169377

Dichlorobenzotrichloride

Structural Information

Molecular Formula
C7H3Cl5
SMILES
C1=CC(=C(C(=C1)Cl)Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C7H3Cl5/c8-5-3-1-2-4(6(5)9)7(10,11)12/h1-3H
InChIKey
GKGPLSQWIBJJPC-UHFFFAOYSA-N
Compound name
1,2-dichloro-3-(trichloromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

261.86774 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.87502 150.7
[M+Na]+ 284.85696 160.2
[M-H]- 260.86046 149.2
[M+NH4]+ 279.90156 167.2
[M+K]+ 300.83090 154.6
[M+H-H2O]+ 244.86500 148.5
[M+HCOO]- 306.86594 147.5
[M+CH3COO]- 320.88159 194.9
[M+Na-2H]- 282.84241 152.8
[M]+ 261.86719 149.8
[M]- 261.86829 149.8
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

patents stripe