CID 81884

1,4-bis(dichloromethyl)benzene

Structural Information

Molecular Formula
C8H6Cl4
SMILES
C1=CC(=CC=C1C(Cl)Cl)C(Cl)Cl
InChI
InChI=1S/C8H6Cl4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4,7-8H
InChIKey
VOWDXSFJQOEFSH-UHFFFAOYSA-N
Compound name
1,4-bis(dichloromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

241.92236 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.92964 148.5
[M+Na]+ 264.91158 163.2
[M+NH4]+ 259.95618 157.9
[M+K]+ 280.88552 154.7
[M-H]- 240.91508 150.3
[M+Na-2H]- 262.89703 155.5
[M]+ 241.92181 152.3
[M]- 241.92291 152.3
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