CID 62123

1,4-bis(chloromethoxymethyl)benzene

Structural Information

Molecular Formula
C10H12Cl2O2
SMILES
C1=CC(=CC=C1COCCl)COCCl
InChI
InChI=1S/C10H12Cl2O2/c11-7-13-5-9-1-2-10(4-3-9)6-14-8-12/h1-4H,5-8H2
InChIKey
BXIVHTWXKYBJEM-UHFFFAOYSA-N
Compound name
1,4-bis(chloromethoxymethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

234.02144 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.028716 145.7
[M+Na]+ 257.010658 154.8
[M-H]- 233.014164 148.5
[M+NH4]+ 252.055263 165.1
[M+K]+ 272.984598 150.1
[M+H-H2O]+ 217.018700 141.4
[M+HCOO]- 279.019641 160.7
[M+CH3COO]- 293.035291 188.0
[M+Na-2H]- 254.996106 151.5
[M]+ 234.02089142 152.2
[M]- 234.02198858 152.2
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