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

185
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

literature stripe

Patent stripe

patents stripe