CID 246499

N-(4-carboxyphenyl)phthalimide

Structural Information

Molecular Formula
C15H9NO4
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C15H9NO4/c17-13-11-3-1-2-4-12(11)14(18)16(13)10-7-5-9(6-8-10)15(19)20/h1-8H,(H,19,20)
InChIKey
HBXCMGPWVGKNRS-UHFFFAOYSA-N
Compound name
4-(1,3-dioxoisoindol-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

112
Patents

267.05316 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.06044 157.8
[M+Na]+ 290.04238 171.1
[M+NH4]+ 285.08698 164.8
[M+K]+ 306.01632 167.2
[M-H]- 266.04588 159.9
[M+Na-2H]- 288.02783 163.5
[M]+ 267.05261 160.1
[M]- 267.05371 160.1
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