CID 13696368

51792-36-0

Structural Information

Molecular Formula
C15H10O2
SMILES
C1=CC=C2C(=C1)C=CC=C2C3=CC=C(O3)C=O
InChI
InChI=1S/C15H10O2/c16-10-12-8-9-15(17-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H
InChIKey
CTSWIPKWDHCZMK-UHFFFAOYSA-N
Compound name
5-naphthalen-1-ylfuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

222.06808 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.075356 145.3
[M+Na]+ 245.057298 156.3
[M-H]- 221.060804 154.8
[M+NH4]+ 240.101903 165.4
[M+K]+ 261.031238 153.0
[M+H-H2O]+ 205.065340 139.0
[M+HCOO]- 267.066281 171.3
[M+CH3COO]- 281.081931 160.4
[M+Na-2H]- 243.042746 153.6
[M]+ 222.06753142 149.4
[M]- 222.06862858 149.4
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