CID 2772293

2-(2-furyl)benzoic acid

Structural Information

Molecular Formula
C11H8O3
SMILES
C1=CC=C(C(=C1)C2=CC=CO2)C(=O)O
InChI
InChI=1S/C11H8O3/c12-11(13)9-5-2-1-4-8(9)10-6-3-7-14-10/h1-7H,(H,12,13)
InChIKey
QRUHYAWZHFTNEA-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

67
Patents

188.04735 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.05463 136.8
[M+Na]+ 211.03657 145.1
[M-H]- 187.04007 143.5
[M+NH4]+ 206.08117 156.0
[M+K]+ 227.01051 143.7
[M+H-H2O]+ 171.04461 131.0
[M+HCOO]- 233.04555 160.5
[M+CH3COO]- 247.06120 177.6
[M+Na-2H]- 209.02202 142.6
[M]+ 188.04680 137.8
[M]- 188.04790 137.8
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

patents stripe