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

169
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 142.9
[M+Na]+ 264.91158 151.5
[M-H]- 240.91508 143.0
[M+NH4]+ 259.95618 160.9
[M+K]+ 280.88552 145.8
[M+H-H2O]+ 224.91962 140.4
[M+HCOO]- 286.92056 145.0
[M+CH3COO]- 300.93621 191.7
[M+Na-2H]- 262.89703 144.8
[M]+ 241.92181 143.7
[M]- 241.92291 143.7
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

No patent data available for this compound.