CID 6603717

19348-53-9

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

2
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

literature stripe

Patent stripe

patents stripe