CID 78467

2,3-dicyanohydroquinone

Structural Information

Molecular Formula
C8H4N2O2
SMILES
C1=CC(=C(C(=C1O)C#N)C#N)O
InChI
InChI=1S/C8H4N2O2/c9-3-5-6(4-10)8(12)2-1-7(5)11/h1-2,11-12H
InChIKey
MPAIWVOBMLSHQA-UHFFFAOYSA-N
Compound name
3,6-dihydroxybenzene-1,2-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

1625
Patents

160.02728 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.03456 158.3
[M+Na]+ 183.01650 167.0
[M+NH4]+ 178.06110 158.7
[M+K]+ 198.99044 157.5
[M-H]- 159.02000 147.9
[M+Na-2H]- 181.00195 157.5
[M]+ 160.02673 155.3
[M]- 160.02783 155.3
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