CID 96941

1,2-benzenedicarbonitrile, 4,4'-oxybis-

Structural Information

Molecular Formula
C16H6N4O
SMILES
C1=CC(=C(C=C1OC2=CC(=C(C=C2)C#N)C#N)C#N)C#N
InChI
InChI=1S/C16H6N4O/c17-7-11-1-3-15(5-13(11)9-19)21-16-4-2-12(8-18)14(6-16)10-20/h1-6H
InChIKey
XMTHKRUBGGLPJA-UHFFFAOYSA-N
Compound name
4-(3,4-dicyanophenoxy)benzene-1,2-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

81
Patents

270.05417 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06145 167.6
[M+Na]+ 293.04339 173.2
[M-H]- 269.04689 171.3
[M+NH4]+ 288.08799 170.9
[M+K]+ 309.01733 169.8
[M+H-H2O]+ 253.05143 159.2
[M+HCOO]- 315.05237 169.2
[M+CH3COO]- 329.06802 168.2
[M+Na-2H]- 291.02884 164.8
[M]+ 270.05362 162.4
[M]- 270.05472 162.4
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