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

1654
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 147.3
[M+Na]+ 183.01650 158.2
[M-H]- 159.02000 149.9
[M+NH4]+ 178.06110 160.5
[M+K]+ 198.99044 155.1
[M+H-H2O]+ 143.02454 133.4
[M+HCOO]- 205.02548 159.3
[M+CH3COO]- 219.04113 209.0
[M+Na-2H]- 181.00195 149.7
[M]+ 160.02673 138.9
[M]- 160.02783 138.9
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