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

2
Patents

398.20932 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.216596 200.2
[M+Na]+ 421.198538 202.6
[M-H]- 397.202044 205.2
[M+NH4]+ 416.243143 210.4
[M+K]+ 437.172478 199.9
[M+H-H2O]+ 381.206580 190.5
[M+HCOO]- 443.207521 219.5
[M+CH3COO]- 457.223171 222.5
[M+Na-2H]- 419.183986 198.6
[M]+ 398.20877142 206.8
[M]- 398.20986858 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