CID 7212

2,4-dichlorobenzyl chloride

Structural Information

Molecular Formula
C7H5Cl3
SMILES
C1=CC(=C(C=C1Cl)Cl)CCl
InChI
InChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2
InChIKey
IRSVDHPYXFLLDS-UHFFFAOYSA-N
Compound name
2,4-dichloro-1-(chloromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

2901
Patents

193.94568 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.95296 132.3
[M+Na]+ 216.93490 143.4
[M-H]- 192.93840 134.5
[M+NH4]+ 211.97950 153.3
[M+K]+ 232.90884 137.6
[M+H-H2O]+ 176.94294 129.7
[M+HCOO]- 238.94388 142.2
[M+CH3COO]- 252.95953 182.2
[M+Na-2H]- 214.92035 137.8
[M]+ 193.94513 135.0
[M]- 193.94623 135.0
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