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

115
Patents

264.0535 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.06078 171.5
[M+Na]+ 287.04272 181.9
[M-H]- 263.04622 175.9
[M+NH4]+ 282.08732 181.9
[M+K]+ 303.01666 176.4
[M+H-H2O]+ 247.05076 155.1
[M+HCOO]- 309.05170 184.0
[M+CH3COO]- 323.06735 222.7
[M+Na-2H]- 285.02817 172.5
[M]+ 264.05295 164.6
[M]- 264.05405 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