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

561
Patents

478.1111 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.118376 198.0
[M+Na]+ 501.100318 195.3
[M-H]- 477.103824 206.2
[M+NH4]+ 496.144923 186.9
[M+K]+ 517.074258 200.6
[M+H-H2O]+ 461.108360 194.0
[M+HCOO]- 523.109301 201.9
[M+CH3COO]- 537.124951 244.9
[M+Na-2H]- 499.085766 192.3
[M]+ 478.11055142 207.9
[M]- 478.11164858 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