CID 117276095

4,6-dihydroxybenzene-1,3-dicarbonitrile

Structural Information

Molecular Formula
C8H4N2O2
SMILES
C1=C(C(=CC(=C1C#N)O)O)C#N
InChI
InChI=1S/C8H4N2O2/c9-3-5-1-6(4-10)8(12)2-7(5)11/h1-2,11-12H
InChIKey
FPRQCDXOTPOQES-UHFFFAOYSA-N
Compound name
4,6-dihydroxybenzene-1,3-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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

No literature data available for this compound.

Patent stripe

patents stripe