CID 76790

2,3-dichlorobenzyl chloride

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

572
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 133.6
[M+Na]+ 216.93490 149.9
[M+NH4]+ 211.97950 144.1
[M+K]+ 232.90884 140.8
[M-H]- 192.93840 136.6
[M+Na-2H]- 214.92035 142.2
[M]+ 193.94513 137.9
[M]- 193.94623 137.9
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

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