CID 11275689

Methyl 5-phenylfuran-2-carboxylate

Structural Information

Molecular Formula
C12H10O3
SMILES
COC(=O)C1=CC=C(O1)C2=CC=CC=C2
InChI
InChI=1S/C12H10O3/c1-14-12(13)11-8-7-10(15-11)9-5-3-2-4-6-9/h2-8H,1H3
InChIKey
RQWRCTAAHRAAGB-UHFFFAOYSA-N
Compound name
methyl 5-phenylfuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

202.06299 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.070266 141.2
[M+Na]+ 225.052208 149.7
[M-H]- 201.055714 149.2
[M+NH4]+ 220.096813 160.7
[M+K]+ 241.026148 149.0
[M+H-H2O]+ 185.060250 135.1
[M+HCOO]- 247.061191 166.1
[M+CH3COO]- 261.076841 182.5
[M+Na-2H]- 223.037656 146.9
[M]+ 202.06244142 144.3
[M]- 202.06353858 144.3
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

patents stripe