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

39896
Patents

281.8131 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.820376 154.4
[M+Na]+ 304.802318 164.3
[M-H]- 280.805824 150.8
[M+NH4]+ 299.846923 169.2
[M+K]+ 320.776258 159.8
[M+H-H2O]+ 264.810360 153.0
[M+HCOO]- 326.811301 147.3
[M+CH3COO]- 340.826951 202.4
[M+Na-2H]- 302.787766 152.6
[M]+ 281.81255142 151.7
[M]- 281.81364858 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

literature stripe

Patent stripe

patents stripe