CID 102991

Di(tetrahydrofurfuryl) phthalate

Structural Information

Molecular Formula
C18H22O6
SMILES
C1CC(OC1)COC(=O)C2=CC=CC=C2C(=O)OCC3CCCO3
InChI
InChI=1S/C18H22O6/c19-17(23-11-13-5-3-9-21-13)15-7-1-2-8-16(15)18(20)24-12-14-6-4-10-22-14/h1-2,7-8,13-14H,3-6,9-12H2
InChIKey
FVNABQUYTVWAOS-UHFFFAOYSA-N
Compound name
bis(oxolan-2-ylmethyl) benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

28
Patents

334.14163 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.14891 177.7
[M+Na]+ 357.13085 180.1
[M-H]- 333.13435 187.6
[M+NH4]+ 352.17545 191.1
[M+K]+ 373.10479 181.2
[M+H-H2O]+ 317.13889 171.3
[M+HCOO]- 379.13983 195.6
[M+CH3COO]- 393.15548 204.1
[M+Na-2H]- 355.11630 175.9
[M]+ 334.14108 178.9
[M]- 334.14218 178.9
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