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

340
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

literature stripe

Patent stripe

patents stripe