CID 299493

4,5-dichloro-3,6-dihydroxybenzene-1,2-dicarbonitrile

Structural Information

Molecular Formula
C8H2Cl2N2O2
SMILES
C(#N)C1=C(C(=C(C(=C1O)Cl)Cl)O)C#N
InChI
InChI=1S/C8H2Cl2N2O2/c9-5-6(10)8(14)4(2-12)3(1-11)7(5)13/h13-14H
InChIKey
QNDGAROPZNKYNK-UHFFFAOYSA-N
Compound name
4,5-dichloro-3,6-dihydroxybenzene-1,2-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

252
Patents

227.94933 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.95661 152.6
[M+Na]+ 250.93855 165.8
[M-H]- 226.94205 155.4
[M+NH4]+ 245.98315 165.4
[M+K]+ 266.91249 160.5
[M+H-H2O]+ 210.94659 140.9
[M+HCOO]- 272.94753 158.8
[M+CH3COO]- 286.96318 215.9
[M+Na-2H]- 248.92400 153.7
[M]+ 227.94878 147.0
[M]- 227.94988 147.0
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

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