CID 117576

1,2-bis(dichloromethyl)benzene

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

98
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

literature stripe

Patent stripe

patents stripe