CID 6448501

139266-45-8

Structural Information

Molecular Formula
C15H13ClO4
SMILES
CCOC(=O)/C=C/1\C(=O)C(=C(O1)C2=CC=C(C=C2)C)Cl
InChI
InChI=1S/C15H13ClO4/c1-3-19-12(17)8-11-14(18)13(16)15(20-11)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3/b11-8+
InChIKey
VSQZEJBKDQWMAW-DHZHZOJOSA-N
Compound name
ethyl (2E)-2-[4-chloro-5-(4-methylphenyl)-3-oxofuran-2-ylidene]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.05023 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.05751 163.5
[M+Na]+ 315.03945 173.7
[M-H]- 291.04295 171.7
[M+NH4]+ 310.08405 180.9
[M+K]+ 331.01339 170.0
[M+H-H2O]+ 275.04749 158.3
[M+HCOO]- 337.04843 181.9
[M+CH3COO]- 351.06408 199.0
[M+Na-2H]- 313.02490 164.2
[M]+ 292.04968 169.6
[M]- 292.05078 169.6
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.