CID 50433

6-(2,4-dichlorobenzoyl)-4,7-dimethoxy-2,3-dimethylbenzofuran

Structural Information

Molecular Formula
C19H16Cl2O4
SMILES
CC1=C(OC2=C(C(=CC(=C12)OC)C(=O)C3=C(C=C(C=C3)Cl)Cl)OC)C
InChI
InChI=1S/C19H16Cl2O4/c1-9-10(2)25-19-16(9)15(23-3)8-13(18(19)24-4)17(22)12-6-5-11(20)7-14(12)21/h5-8H,1-4H3
InChIKey
ZAIPESSBVOTNNB-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl)-(4,7-dimethoxy-2,3-dimethyl-1-benzofuran-6-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.04257 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.04985 184.2
[M+Na]+ 401.03179 198.0
[M-H]- 377.03529 193.7
[M+NH4]+ 396.07639 200.3
[M+K]+ 417.00573 193.1
[M+H-H2O]+ 361.03983 179.0
[M+HCOO]- 423.04077 198.0
[M+CH3COO]- 437.05642 218.6
[M+Na-2H]- 399.01724 184.4
[M]+ 378.04202 197.3
[M]- 378.04312 197.3
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.