CID 78188

4-phenylphthalic acid

Structural Information

Molecular Formula
C14H10O4
SMILES
C1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)O)C(=O)O
InChI
InChI=1S/C14H10O4/c15-13(16)11-7-6-10(8-12(11)14(17)18)9-4-2-1-3-5-9/h1-8H,(H,15,16)(H,17,18)
InChIKey
YYEWRNLQOAIQDL-UHFFFAOYSA-N
Compound name
4-phenylphthalic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

478
Patents

242.0579 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.065176 150.7
[M+Na]+ 265.047118 158.0
[M-H]- 241.050624 155.2
[M+NH4]+ 260.091723 166.3
[M+K]+ 281.021058 154.6
[M+H-H2O]+ 225.055160 143.9
[M+HCOO]- 287.056101 171.3
[M+CH3COO]- 301.071751 187.8
[M+Na-2H]- 263.032566 154.0
[M]+ 242.05735142 149.9
[M]- 242.05844858 149.9
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