CID 44152553

Isooctyl 2-phenoxyethyl terephthalate

Structural Information

Molecular Formula
C24H30O5
SMILES
CC(C)CCCCCOC(=O)C1=CC=C(C=C1)C(=O)OCCOC2=CC=CC=C2
InChI
InChI=1S/C24H30O5/c1-19(2)9-5-4-8-16-28-23(25)20-12-14-21(15-13-20)24(26)29-18-17-27-22-10-6-3-7-11-22/h3,6-7,10-15,19H,4-5,8-9,16-18H2,1-2H3
InChIKey
OCSJGBJBLWZYQQ-UHFFFAOYSA-N
Compound name
1-O-(6-methylheptyl) 4-O-(2-phenoxyethyl) benzene-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

398.20932 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.21660 200.2
[M+Na]+ 421.19854 202.6
[M-H]- 397.20204 205.2
[M+NH4]+ 416.24314 210.4
[M+K]+ 437.17248 199.9
[M+H-H2O]+ 381.20658 190.5
[M+HCOO]- 443.20752 219.5
[M+CH3COO]- 457.22317 222.5
[M+Na-2H]- 419.18399 198.6
[M]+ 398.20877 206.8
[M]- 398.20987 206.8
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