CID 12468

1,2,3,5-tetrachlorobenzene

Structural Information

Molecular Formula
C6H2Cl4
SMILES
C1=C(C=C(C(=C1Cl)Cl)Cl)Cl
InChI
InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
InChIKey
QZYNWJQFTJXIRN-UHFFFAOYSA-N
Compound name
1,2,3,5-tetrachlorobenzene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

29
References

552
Patents

213.89107 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.89835 135.2
[M+Na]+ 236.88029 146.6
[M-H]- 212.88379 135.9
[M+NH4]+ 231.92489 154.8
[M+K]+ 252.85423 140.9
[M+H-H2O]+ 196.88833 133.3
[M+HCOO]- 258.88927 139.5
[M+CH3COO]- 272.90492 186.8
[M+Na-2H]- 234.86574 138.9
[M]+ 213.89052 136.7
[M]- 213.89162 136.7
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

No patent data available for this compound.