CID 10943

1,3-dichlorobenzene

Structural Information

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

2D Structure

compound 2d structure
8
Annotation Hits

165
References

45136
Patents

145.96901 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.97629 121.3
[M+Na]+ 168.95823 132.0
[M-H]- 144.96173 124.7
[M+NH4]+ 164.00283 144.2
[M+K]+ 184.93217 127.5
[M+H-H2O]+ 128.96627 118.2
[M+HCOO]- 190.96721 137.1
[M+CH3COO]- 204.98286 172.4
[M+Na-2H]- 166.94368 129.3
[M]+ 145.96846 123.4
[M]- 145.96956 123.4
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