CID 77861

Ethylene phthalate

Structural Information

Molecular Formula
C10H8O4
SMILES
C1COC(=O)C2=CC=CC=C2C(=O)O1
InChI
InChI=1S/C10H8O4/c11-9-7-3-1-2-4-8(7)10(12)14-6-5-13-9/h1-4H,5-6H2
InChIKey
SENMPMXZMGNQAG-UHFFFAOYSA-N
Compound name
3,4-dihydro-2,5-benzodioxocine-1,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3253
Patents

192.04225 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04953 147.1
[M+Na]+ 215.03147 152.7
[M-H]- 191.03497 150.1
[M+NH4]+ 210.07607 155.2
[M+K]+ 231.00541 153.9
[M+H-H2O]+ 175.03951 143.6
[M+HCOO]- 237.04045 156.1
[M+CH3COO]- 251.05610 221.4
[M+Na-2H]- 213.01692 149.2
[M]+ 192.04170 147.6
[M]- 192.04280 147.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe