CID 119792

1,3-benzenedicarboxylic acid, 5-phenoxy-

Structural Information

Molecular Formula
C14H10O5
SMILES
C1=CC=C(C=C1)OC2=CC(=CC(=C2)C(=O)O)C(=O)O
InChI
InChI=1S/C14H10O5/c15-13(16)9-6-10(14(17)18)8-12(7-9)19-11-4-2-1-3-5-11/h1-8H,(H,15,16)(H,17,18)
InChIKey
ZZMSWJDUUZUBNA-UHFFFAOYSA-N
Compound name
5-phenoxybenzene-1,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

258.05283 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06011 153.5
[M+Na]+ 281.04205 160.6
[M-H]- 257.04555 158.0
[M+NH4]+ 276.08665 168.4
[M+K]+ 297.01599 158.0
[M+H-H2O]+ 241.05009 146.5
[M+HCOO]- 303.05103 174.3
[M+CH3COO]- 317.06668 190.0
[M+Na-2H]- 279.02750 157.0
[M]+ 258.05228 154.2
[M]- 258.05338 154.2
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