CID 8370

Hexachlorobenzene

Structural Information

Molecular Formula
C6Cl6
SMILES
C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKey
CKAPSXZOOQJIBF-UHFFFAOYSA-N
Compound name
1,2,3,4,5,6-hexachlorobenzene
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

2517
References

39743
Patents

281.8131 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.82038 154.4
[M+Na]+ 304.80232 164.3
[M-H]- 280.80582 150.8
[M+NH4]+ 299.84692 169.2
[M+K]+ 320.77626 159.8
[M+H-H2O]+ 264.81036 153.0
[M+HCOO]- 326.81130 147.3
[M+CH3COO]- 340.82695 202.4
[M+Na-2H]- 302.78777 152.6
[M]+ 281.81255 151.7
[M]- 281.81365 151.7
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.