CID 13005642

Bis(4-cyanophenyl) carbonate

Structural Information

Molecular Formula
C15H8N2O3
SMILES
C1=CC(=CC=C1C#N)OC(=O)OC2=CC=C(C=C2)C#N
InChI
InChI=1S/C15H8N2O3/c16-9-11-1-5-13(6-2-11)19-15(18)20-14-7-3-12(10-17)4-8-14/h1-8H
InChIKey
POSZYPCJRYUXEU-UHFFFAOYSA-N
Compound name
bis(4-cyanophenyl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

264.0535 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.060776 171.5
[M+Na]+ 287.042718 181.9
[M-H]- 263.046224 175.9
[M+NH4]+ 282.087323 181.9
[M+K]+ 303.016658 176.4
[M+H-H2O]+ 247.050760 155.1
[M+HCOO]- 309.051701 184.0
[M+CH3COO]- 323.067351 222.7
[M+Na-2H]- 285.028166 172.5
[M]+ 264.05295142 164.6
[M]- 264.05404858 164.6
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