CID 382577

Nsc670188

Structural Information

Molecular Formula
C18H10Cl2N2O4
SMILES
CC1=C(OC2=C1C=CC(=C2)OC)OC3=C(C(=C(C(=C3C#N)C#N)O)Cl)Cl
InChI
InChI=1S/C18H10Cl2N2O4/c1-8-10-4-3-9(24-2)5-13(10)25-18(8)26-17-12(7-22)11(6-21)16(23)14(19)15(17)20/h3-5,23H,1-2H3
InChIKey
TVYGRUMPAWCBJI-UHFFFAOYSA-N
Compound name
4,5-dichloro-3-hydroxy-6-[(6-methoxy-3-methyl-1-benzofuran-2-yl)oxy]benzene-1,2-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.00177 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.00905 188.1
[M+Na]+ 410.99099 203.7
[M-H]- 386.99449 193.2
[M+NH4]+ 406.03559 198.1
[M+K]+ 426.96493 195.3
[M+H-H2O]+ 370.99903 174.1
[M+HCOO]- 432.99997 194.4
[M+CH3COO]- 447.01562 195.2
[M+Na-2H]- 408.97644 187.0
[M]+ 388.00122 187.7
[M]- 388.00232 187.7
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

No patent data available for this compound.