CID 20348453

1,2,3-trichloro-5-(trichloromethyl)benzene

Structural Information

Molecular Formula
C7H2Cl6
SMILES
C1=C(C=C(C(=C1Cl)Cl)Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C7H2Cl6/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H
InChIKey
FJDGZZBUUIWPAM-UHFFFAOYSA-N
Compound name
1,2,3-trichloro-5-(trichloromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

295.82877 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.83605 161.0
[M+Na]+ 318.81799 169.6
[M-H]- 294.82149 157.3
[M+NH4]+ 313.86259 175.0
[M+K]+ 334.79193 164.9
[M+H-H2O]+ 278.82603 158.9
[M+HCOO]- 340.82697 152.3
[M+CH3COO]- 354.84262 202.7
[M+Na-2H]- 316.80344 160.1
[M]+ 295.82822 157.6
[M]- 295.82932 157.6
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