CID 3875765

4-hydroxybenzene-1,2-dicarbonitrile

Structural Information

Molecular Formula
C8H4N2O
SMILES
C1=CC(=C(C=C1O)C#N)C#N
InChI
InChI=1S/C8H4N2O/c9-4-6-1-2-8(11)3-7(6)5-10/h1-3,11H
InChIKey
FTVOPKROFUTOKY-UHFFFAOYSA-N
Compound name
4-hydroxybenzene-1,2-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

293
Patents

144.03236 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.03964 144.4
[M+Na]+ 167.02158 155.3
[M-H]- 143.02508 147.7
[M+NH4]+ 162.06618 158.4
[M+K]+ 182.99552 151.9
[M+H-H2O]+ 127.02962 130.2
[M+HCOO]- 189.03056 157.3
[M+CH3COO]- 203.04621 208.5
[M+Na-2H]- 165.00703 147.7
[M]+ 144.03181 136.2
[M]- 144.03291 136.2
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