CID 137880

3,5-dichlorobenzyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

610
Patents

193.94568 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.952956 132.3
[M+Na]+ 216.934898 143.4
[M-H]- 192.938404 134.5
[M+NH4]+ 211.979503 153.3
[M+K]+ 232.908838 137.6
[M+H-H2O]+ 176.942940 129.7
[M+HCOO]- 238.943881 142.2
[M+CH3COO]- 252.959531 182.2
[M+Na-2H]- 214.920346 137.8
[M]+ 193.94513142 135.0
[M]- 193.94622858 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

No literature data available for this compound.

Patent stripe

patents stripe