CID 51342119

1332528-31-0

Structural Information

Molecular Formula
C8H7ClN2O
SMILES
C1=CC2=C(C(=C1)Cl)NC(=O)C2N
InChI
InChI=1S/C8H7ClN2O/c9-5-3-1-2-4-6(10)8(12)11-7(4)5/h1-3,6H,10H2,(H,11,12)
InChIKey
PZPCFHKLPJLPDJ-UHFFFAOYSA-N
Compound name
3-amino-7-chloro-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.02469 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.03197 133.3
[M+Na]+ 205.01391 145.7
[M+NH4]+ 200.05851 142.2
[M+K]+ 220.98785 141.2
[M-H]- 181.01741 134.9
[M+Na-2H]- 202.99936 138.1
[M]+ 182.02414 135.5
[M]- 182.02524 135.5
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.