CID 4396187

1,4-phenylene bis(chloroformate)

Structural Information

Molecular Formula
C8H4Cl2O4
SMILES
C1=CC(=CC=C1OC(=O)Cl)OC(=O)Cl
InChI
InChI=1S/C8H4Cl2O4/c9-7(11)13-5-1-2-6(4-3-5)14-8(10)12/h1-4H
InChIKey
PVSUXIJGHWZIJA-UHFFFAOYSA-N
Compound name
(4-carbonochloridoyloxyphenyl) carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

233.94867 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.95595 138.4
[M+Na]+ 256.93789 148.5
[M-H]- 232.94139 142.2
[M+NH4]+ 251.98249 157.7
[M+K]+ 272.91183 145.3
[M+H-H2O]+ 216.94593 134.8
[M+HCOO]- 278.94687 153.3
[M+CH3COO]- 292.96252 184.8
[M+Na-2H]- 254.92334 143.3
[M]+ 233.94812 144.6
[M]- 233.94922 144.6
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

patents stripe