CID 82136

4,4'-oxydiphthalic acid

Structural Information

Molecular Formula
C16H10O9
SMILES
C1=CC(=C(C=C1OC2=CC(=C(C=C2)C(=O)O)C(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C16H10O9/c17-13(18)9-3-1-7(5-11(9)15(21)22)25-8-2-4-10(14(19)20)12(6-8)16(23)24/h1-6H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKey
AIVVXPSKEVWKMY-UHFFFAOYSA-N
Compound name
4-(3,4-dicarboxyphenoxy)phthalic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

11005
Patents

346.03247 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.03975 168.8
[M+Na]+ 369.02169 174.7
[M-H]- 345.02519 170.9
[M+NH4]+ 364.06629 178.2
[M+K]+ 384.99563 173.6
[M+H-H2O]+ 329.02973 161.5
[M+HCOO]- 391.03067 184.7
[M+CH3COO]- 405.04632 204.4
[M+Na-2H]- 367.00714 167.2
[M]+ 346.03192 170.4
[M]- 346.03302 170.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe