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

514
Patents

193.94568 Da
Monoisotopic Mass

3.6
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

No literature data available for this compound.

Patent stripe

patents stripe