CID 4292407

4,5-dioctyloxy-1,2-benzenedicarbonitrile

Structural Information

Molecular Formula
C24H36N2O2
SMILES
CCCCCCCCOC1=C(C=C(C(=C1)C#N)C#N)OCCCCCCCC
InChI
InChI=1S/C24H36N2O2/c1-3-5-7-9-11-13-15-27-23-17-21(19-25)22(20-26)18-24(23)28-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3
InChIKey
SSVVHLRGCJLWCP-UHFFFAOYSA-N
Compound name
4,5-dioctoxybenzene-1,2-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

384.27768 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.28496 201.9
[M+Na]+ 407.26690 209.4
[M+NH4]+ 402.31150 201.2
[M+K]+ 423.24084 197.1
[M-H]- 383.27040 191.7
[M+Na-2H]- 405.25235 199.2
[M]+ 384.27713 198.8
[M]- 384.27823 198.8
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