CID 1556691

304896-37-5

Structural Information

Molecular Formula
C18H17ClO5
SMILES
CCOC(=O)C(=CC1=CC=C(O1)C2=CC=CC=C2Cl)C(=O)OCC
InChI
InChI=1S/C18H17ClO5/c1-3-22-17(20)14(18(21)23-4-2)11-12-9-10-16(24-12)13-7-5-6-8-15(13)19/h5-11H,3-4H2,1-2H3
InChIKey
LLOJSZZGHTUNKJ-UHFFFAOYSA-N
Compound name
diethyl 2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.07645 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.08373 180.2
[M+Na]+ 371.06567 187.6
[M-H]- 347.06917 187.8
[M+NH4]+ 366.11027 194.6
[M+K]+ 387.03961 184.7
[M+H-H2O]+ 331.07371 173.9
[M+HCOO]- 393.07465 197.3
[M+CH3COO]- 407.09030 208.3
[M+Na-2H]- 369.05112 179.3
[M]+ 348.07590 188.2
[M]- 348.07700 188.2
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.