CID 5385393

Nsc 404232

Structural Information

Molecular Formula
C20H20O6
SMILES
C1=CC=C(C=C1)OCCOC(=O)/C=C\C(=O)OCCOC2=CC=CC=C2
InChI
InChI=1S/C20H20O6/c21-19(25-15-13-23-17-7-3-1-4-8-17)11-12-20(22)26-16-14-24-18-9-5-2-6-10-18/h1-12H,13-16H2/b12-11-
InChIKey
HRYREZUFSWGBTI-QXMHVHEDSA-N
Compound name
bis(2-phenoxyethyl) (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

356.12598 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13326 183.8
[M+Na]+ 379.11520 187.5
[M-H]- 355.11870 189.2
[M+NH4]+ 374.15980 195.4
[M+K]+ 395.08914 185.2
[M+H-H2O]+ 339.12324 174.3
[M+HCOO]- 401.12418 205.9
[M+CH3COO]- 415.13983 209.5
[M+Na-2H]- 377.10065 186.3
[M]+ 356.12543 189.8
[M]- 356.12653 189.8
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

patents stripe