CID 17358123

773874-55-8

Structural Information

Molecular Formula
C13H11ClO4
SMILES
COC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)OC)Cl
InChI
InChI=1S/C13H11ClO4/c1-16-11-4-3-8(7-9(11)14)10-5-6-12(18-10)13(15)17-2/h3-7H,1-2H3
InChIKey
XIKHUZKMBHLNAD-UHFFFAOYSA-N
Compound name
methyl 5-(3-chloro-4-methoxyphenyl)furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.03458 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.041856 155.1
[M+Na]+ 289.023798 165.6
[M-H]- 265.027304 163.5
[M+NH4]+ 284.068403 173.5
[M+K]+ 304.997738 163.4
[M+H-H2O]+ 249.031840 149.7
[M+HCOO]- 311.032781 175.2
[M+CH3COO]- 325.048431 193.7
[M+Na-2H]- 287.009246 158.5
[M]+ 266.03403142 163.0
[M]- 266.03512858 163.0
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.