CID 6603717

N-(4-amino-2-chlorophenyl)phthalimide

Structural Information

Molecular Formula
C14H9ClN2O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)C3=C(C=C(C=C3)N)Cl
InChI
InChI=1S/C14H9ClN2O2/c15-11-7-8(16)5-6-12(11)17-13(18)9-3-1-2-4-10(9)14(17)19/h1-7H,16H2
InChIKey
DRZDMSPFGPTPER-UHFFFAOYSA-N
Compound name
2-(4-amino-2-chlorophenyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

3
Patents

272.03525 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.04253 159.1
[M+Na]+ 295.02447 171.0
[M-H]- 271.02797 166.0
[M+NH4]+ 290.06907 177.8
[M+K]+ 310.99841 164.5
[M+H-H2O]+ 255.03251 152.5
[M+HCOO]- 317.03345 177.8
[M+CH3COO]- 331.04910 172.3
[M+Na-2H]- 293.00992 161.9
[M]+ 272.03470 160.8
[M]- 272.03580 160.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.