CID 1556694

304896-39-7

Structural Information

Molecular Formula
C18H16Cl2O5
SMILES
CCOC(=O)C(=CC1=CC=C(O1)C2=C(C(=CC=C2)Cl)Cl)C(=O)OCC
InChI
InChI=1S/C18H16Cl2O5/c1-3-23-17(21)13(18(22)24-4-2)10-11-8-9-15(25-11)12-6-5-7-14(19)16(12)20/h5-10H,3-4H2,1-2H3
InChIKey
UGKMXUXTHAIMGX-UHFFFAOYSA-N
Compound name
diethyl 2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.03748 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.04476 185.2
[M+Na]+ 405.02670 193.9
[M-H]- 381.03020 192.5
[M+NH4]+ 400.07130 199.1
[M+K]+ 421.00064 189.6
[M+H-H2O]+ 365.03474 179.9
[M+HCOO]- 427.03568 197.3
[M+CH3COO]- 441.05133 213.7
[M+Na-2H]- 403.01215 183.1
[M]+ 382.03693 194.8
[M]- 382.03803 194.8
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.