CID 43332928

5-(naphthalen-1-yl)furan-2-carboxylic acid

Structural Information

Molecular Formula
C15H10O3
SMILES
C1=CC=C2C(=C1)C=CC=C2C3=CC=C(O3)C(=O)O
InChI
InChI=1S/C15H10O3/c16-15(17)14-9-8-13(18-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,16,17)
InChIKey
OXUIISRQQRIEKA-UHFFFAOYSA-N
Compound name
5-naphthalen-1-ylfuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.06299 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.07027 149.3
[M+Na]+ 261.05221 159.3
[M-H]- 237.05571 157.5
[M+NH4]+ 256.09681 167.8
[M+K]+ 277.02615 156.2
[M+H-H2O]+ 221.06025 143.2
[M+HCOO]- 283.06119 172.9
[M+CH3COO]- 297.07684 163.4
[M+Na-2H]- 259.03766 156.0
[M]+ 238.06244 152.4
[M]- 238.06354 152.4
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.