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

2516
References

35952
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

literature stripe

Patent stripe

patents stripe