CID 54682555

(5z)-3-(4-chlorophenyl)-4-hydroxy-5-(1-naphthylmethylene)furan-2(5h)-one

Structural Information

Molecular Formula
C21H13ClO3
SMILES
C1=CC=C2C(=C1)C=CC=C2/C=C\3/C(=C(C(=O)O3)C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C21H13ClO3/c22-16-10-8-14(9-11-16)19-20(23)18(25-21(19)24)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-12,23H/b18-12-
InChIKey
PLGHLEBIWUQEPR-PDGQHHTCSA-N
Compound name
(5Z)-3-(4-chlorophenyl)-4-hydroxy-5-(naphthalen-1-ylmethylidene)furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

348.05533 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.06261 181.3
[M+Na]+ 371.04455 192.0
[M-H]- 347.04805 192.1
[M+NH4]+ 366.08915 196.3
[M+K]+ 387.01849 185.0
[M+H-H2O]+ 331.05259 174.1
[M+HCOO]- 393.05353 197.6
[M+CH3COO]- 407.06918 193.2
[M+Na-2H]- 369.03000 183.1
[M]+ 348.05478 184.3
[M]- 348.05588 184.3
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