CID 720815

4-chloro-2-methylphenyl 1-benzofuran-2-carboxylate

Structural Information

Molecular Formula
C16H11ClO3
SMILES
CC1=C(C=CC(=C1)Cl)OC(=O)C2=CC3=CC=CC=C3O2
InChI
InChI=1S/C16H11ClO3/c1-10-8-12(17)6-7-13(10)20-16(18)15-9-11-4-2-3-5-14(11)19-15/h2-9H,1H3
InChIKey
ICMHUMRGTLVAKH-UHFFFAOYSA-N
Compound name
(4-chloro-2-methylphenyl) 1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.03967 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.04695 161.8
[M+Na]+ 309.02889 173.6
[M-H]- 285.03239 171.3
[M+NH4]+ 304.07349 180.3
[M+K]+ 325.00283 169.4
[M+H-H2O]+ 269.03693 155.9
[M+HCOO]- 331.03787 181.8
[M+CH3COO]- 345.05352 176.0
[M+Na-2H]- 307.01434 167.0
[M]+ 286.03912 169.6
[M]- 286.04022 169.6
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.