CID 4685

1,4-dichlorobenzene

Structural Information

Molecular Formula
C6H4Cl2
SMILES
C1=CC(=CC=C1Cl)Cl
InChI
InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H
InChIKey
OCJBOOLMMGQPQU-UHFFFAOYSA-N
Compound name
1,4-dichlorobenzene
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

513
References

76511
Patents

145.96901 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.97629 121.7
[M+Na]+ 168.95823 137.9
[M+NH4]+ 164.00283 132.7
[M+K]+ 184.93217 129.3
[M-H]- 144.96173 125.1
[M+Na-2H]- 166.94368 131.2
[M]+ 145.96846 125.8
[M]- 145.96956 125.8
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