CID 2749146

1,4-bis(2-chloroethyl)benzene

Structural Information

Molecular Formula
C10H12Cl2
SMILES
C1=CC(=CC=C1CCCl)CCCl
InChI
InChI=1S/C10H12Cl2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h1-4H,5-8H2
InChIKey
GGMHFGIZPKYWGQ-UHFFFAOYSA-N
Compound name
1,4-bis(2-chloroethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

202.0316 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.03888 140.0
[M+Na]+ 225.02082 155.4
[M+NH4]+ 220.06542 150.3
[M+K]+ 240.99476 145.8
[M-H]- 201.02432 143.3
[M+Na-2H]- 223.00627 148.4
[M]+ 202.03105 143.9
[M]- 202.03215 143.9
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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