CID 111272

7195-47-3

Structural Information

Molecular Formula
C22H22O12
SMILES
C1C(O1)COC(=O)C2=CC(=C(C=C2C(=O)OCC3CO3)C(=O)OCC4CO4)C(=O)OCC5CO5
InChI
InChI=1S/C22H22O12/c23-19(31-7-11-3-27-11)15-1-16(20(24)32-8-12-4-28-12)18(22(26)34-10-14-6-30-14)2-17(15)21(25)33-9-13-5-29-13/h1-2,11-14H,3-10H2
InChIKey
IJTDINJRSNQFSI-UHFFFAOYSA-N
Compound name
tetrakis(oxiran-2-ylmethyl) benzene-1,2,4,5-tetracarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

519
Patents

478.1111 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.11838 198.0
[M+Na]+ 501.10032 195.3
[M-H]- 477.10382 206.2
[M+NH4]+ 496.14492 186.9
[M+K]+ 517.07426 200.6
[M+H-H2O]+ 461.10836 194.0
[M+HCOO]- 523.10930 201.9
[M+CH3COO]- 537.12495 244.9
[M+Na-2H]- 499.08577 192.3
[M]+ 478.11055 207.9
[M]- 478.11165 207.9
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