CID 278573

1018-79-7

Structural Information

Molecular Formula
C12H6N2O2
SMILES
C1=CC=C2C(=C1)C(=C(C(=C2O)C#N)C#N)O
InChI
InChI=1S/C12H6N2O2/c13-5-9-10(6-14)12(16)8-4-2-1-3-7(8)11(9)15/h1-4,15-16H
InChIKey
JJBQXTABLSZHGC-UHFFFAOYSA-N
Compound name
1,4-dihydroxynaphthalene-2,3-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

52
Patents

210.04292 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05020 161.1
[M+Na]+ 233.03214 173.1
[M-H]- 209.03564 163.8
[M+NH4]+ 228.07674 173.7
[M+K]+ 249.00608 166.8
[M+H-H2O]+ 193.04018 147.0
[M+HCOO]- 255.04112 172.0
[M+CH3COO]- 269.05677 215.9
[M+Na-2H]- 231.01759 163.3
[M]+ 210.04237 153.0
[M]- 210.04347 153.0
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