CID 12359775

4,4'-isopropylidenediphenoxyacetic acid

Structural Information

Molecular Formula
C19H20O6
SMILES
CC(C)(C1=CC=C(C=C1)OCC(=O)O)C2=CC=C(C=C2)OCC(=O)O
InChI
InChI=1S/C19H20O6/c1-19(2,13-3-7-15(8-4-13)24-11-17(20)21)14-5-9-16(10-6-14)25-12-18(22)23/h3-10H,11-12H2,1-2H3,(H,20,21)(H,22,23)
InChIKey
ZYGPJSLWIIMUMO-UHFFFAOYSA-N
Compound name
2-[4-[2-[4-(carboxymethoxy)phenyl]propan-2-yl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

128
Patents

344.12598 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13326 178.5
[M+Na]+ 367.11520 183.5
[M-H]- 343.11870 182.3
[M+NH4]+ 362.15980 189.8
[M+K]+ 383.08914 181.2
[M+H-H2O]+ 327.12324 170.8
[M+HCOO]- 389.12418 196.1
[M+CH3COO]- 403.13983 207.5
[M+Na-2H]- 365.10065 180.5
[M]+ 344.12543 181.9
[M]- 344.12653 181.9
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

No patent data available for this compound.