CID 135511271

2h-indol-2-one, 5-chloro-1,3-dihydro-3-(2-pyridinylimino)-

Structural Information

Molecular Formula
C13H8ClN3O
SMILES
C1=CC=NC(=C1)N=C2C3=C(C=CC(=C3)Cl)NC2=O
InChI
InChI=1S/C13H8ClN3O/c14-8-4-5-10-9(7-8)12(13(18)16-10)17-11-3-1-2-6-15-11/h1-7H,(H,15,16,17,18)
InChIKey
SRLIDXDYQKAJDT-UHFFFAOYSA-N
Compound name
5-chloro-3-pyridin-2-ylimino-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.03558 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.04286 155.3
[M+Na]+ 280.02480 165.9
[M-H]- 256.02830 160.6
[M+NH4]+ 275.06940 172.9
[M+K]+ 295.99874 159.2
[M+H-H2O]+ 240.03284 147.2
[M+HCOO]- 302.03378 173.4
[M+CH3COO]- 316.04943 167.8
[M+Na-2H]- 278.01025 160.9
[M]+ 257.03503 155.7
[M]- 257.03613 155.7
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

No patent data available for this compound.