CID 84803

15145-69-4

Structural Information

Molecular Formula
C7H5Cl3
SMILES
C1=CC(=CC(=C1)Cl)C(Cl)Cl
InChI
InChI=1S/C7H5Cl3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,7H
InChIKey
ACNQJGLSENYFQJ-UHFFFAOYSA-N
Compound name
1-chloro-3-(dichloromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

28
Patents

193.94568 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.952956 132.2
[M+Na]+ 216.934898 142.1
[M-H]- 192.938404 134.1
[M+NH4]+ 211.979503 152.8
[M+K]+ 232.908838 136.6
[M+H-H2O]+ 176.942940 129.5
[M+HCOO]- 238.943881 141.2
[M+CH3COO]- 252.959531 181.9
[M+Na-2H]- 214.920346 137.3
[M]+ 193.94513142 134.1
[M]- 193.94622858 134.1
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