CID 12893

2,2-diphenoxyacetic acid

Structural Information

Molecular Formula
C14H12O4
SMILES
C1=CC=C(C=C1)OC(C(=O)O)OC2=CC=CC=C2
InChI
InChI=1S/C14H12O4/c15-13(16)14(17-11-7-3-1-4-8-11)18-12-9-5-2-6-10-12/h1-10,14H,(H,15,16)
InChIKey
BWRPEDIXOHZKFD-UHFFFAOYSA-N
Compound name
2,2-diphenoxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

244.07356 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08084 152.5
[M+Na]+ 267.06278 158.0
[M-H]- 243.06628 157.6
[M+NH4]+ 262.10738 168.2
[M+K]+ 283.03672 156.0
[M+H-H2O]+ 227.07082 144.9
[M+HCOO]- 289.07176 174.4
[M+CH3COO]- 303.08741 188.6
[M+Na-2H]- 265.04823 157.7
[M]+ 244.07301 153.4
[M]- 244.07411 153.4
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