CID 82234481

3-amino-4-chloro-2,3-dihydro-1h-indol-2-one

Structural Information

Molecular Formula
C8H7ClN2O
SMILES
C1=CC2=C(C(C(=O)N2)N)C(=C1)Cl
InChI
InChI=1S/C8H7ClN2O/c9-4-2-1-3-5-6(4)7(10)8(12)11-5/h1-3,7H,10H2,(H,11,12)
InChIKey
RDMXTPWBHNCLGF-UHFFFAOYSA-N
Compound name
3-amino-4-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]+ 183.031966 135.5
[M+Na]+ 205.013908 146.2
[M-H]- 181.017414 137.4
[M+NH4]+ 200.058513 157.1
[M+K]+ 220.987848 140.7
[M+H-H2O]+ 165.021950 130.7
[M+HCOO]- 227.022891 152.9
[M+CH3COO]- 241.038541 149.0
[M+Na-2H]- 202.999356 140.1
[M]+ 182.02414142 133.9
[M]- 182.02523858 133.9
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.