CID 1473403

131866-23-4

Structural Information

Molecular Formula
C16H10Cl2O2
SMILES
CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H10Cl2O2/c1-9-13-8-12(18)6-7-14(13)20-16(9)15(19)10-2-4-11(17)5-3-10/h2-8H,1H3
InChIKey
PGRUNYPGHLTHSD-UHFFFAOYSA-N
Compound name
(5-chloro-3-methyl-1-benzofuran-2-yl)-(4-chlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.0058 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.01308 165.7
[M+Na]+ 326.99502 178.8
[M-H]- 302.99852 174.5
[M+NH4]+ 322.03962 184.2
[M+K]+ 342.96896 172.7
[M+H-H2O]+ 287.00306 160.6
[M+HCOO]- 349.00400 180.2
[M+CH3COO]- 363.01965 179.4
[M+Na-2H]- 324.98047 169.2
[M]+ 304.00525 173.8
[M]- 304.00635 173.8
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

No patent data available for this compound.