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]+ 267.04186 155.1
[M+Na]+ 289.02380 165.6
[M-H]- 265.02730 163.5
[M+NH4]+ 284.06840 173.5
[M+K]+ 304.99774 163.4
[M+H-H2O]+ 249.03184 149.7
[M+HCOO]- 311.03278 175.2
[M+CH3COO]- 325.04843 193.7
[M+Na-2H]- 287.00925 158.5
[M]+ 266.03403 163.0
[M]- 266.03513 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.