CID 81867

N-(4-chlorophenyl)phthalimide

Structural Information

Molecular Formula
C14H8ClNO2
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H8ClNO2/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(16)18/h1-8H
InChIKey
QKHKQJWODBAIMN-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

47
Patents

257.02435 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.031626 154.2
[M+Na]+ 280.013568 166.1
[M-H]- 256.017074 161.3
[M+NH4]+ 275.058173 173.8
[M+K]+ 295.987508 159.9
[M+H-H2O]+ 240.021610 147.5
[M+HCOO]- 302.022551 172.5
[M+CH3COO]- 316.038201 167.8
[M+Na-2H]- 277.999016 158.1
[M]+ 257.02380142 157.0
[M]- 257.02489858 157.0
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