CID 54675940

Brn 1330495

Structural Information

Molecular Formula
C19H12Cl2O5
SMILES
COC(=O)/C(=C\1/C(=C(C(=O)O1)C2=CC=CC=C2)O)/C3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C19H12Cl2O5/c1-25-18(23)15(11-7-12(20)9-13(21)8-11)17-16(22)14(19(24)26-17)10-5-3-2-4-6-10/h2-9,22H,1H3/b17-15-
InChIKey
BKECUBGWLNVRMY-ICFOKQHNSA-N
Compound name
methyl (2Z)-2-(3,5-dichlorophenyl)-2-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.00616 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.01344 184.4
[M+Na]+ 412.99538 199.2
[M+NH4]+ 408.03998 191.0
[M+K]+ 428.96932 194.3
[M-H]- 388.99888 189.3
[M+Na-2H]- 410.98083 190.6
[M]+ 390.00561 188.4
[M]- 390.00671 188.4
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.