CID 25134265

2-(2-chloropyridin-4-yl)-4-methyl-1h-isoindole-1,3(2h)-dione

Structural Information

Molecular Formula
C14H9ClN2O2
SMILES
CC1=C2C(=CC=C1)C(=O)N(C2=O)C3=CC(=NC=C3)Cl
InChI
InChI=1S/C14H9ClN2O2/c1-8-3-2-4-10-12(8)14(19)17(13(10)18)9-5-6-16-11(15)7-9/h2-7H,1H3
InChIKey
YDJMWNHJNJVVMM-UHFFFAOYSA-N
Compound name
2-(2-chloropyridin-4-yl)-4-methylisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

272.03525 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.04253 158.8
[M+Na]+ 295.02447 171.5
[M-H]- 271.02797 164.7
[M+NH4]+ 290.06907 176.6
[M+K]+ 310.99841 165.2
[M+H-H2O]+ 255.03251 151.2
[M+HCOO]- 317.03345 175.6
[M+CH3COO]- 331.04910 171.9
[M+Na-2H]- 293.00992 161.9
[M]+ 272.03470 162.4
[M]- 272.03580 162.4
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