CID 16228050

1078566-89-8

Structural Information

Molecular Formula
C8H7ClN2O
SMILES
C1=CC2=C(C=C1Cl)NC(=O)C2N
InChI
InChI=1S/C8H7ClN2O/c9-4-1-2-5-6(3-4)11-8(12)7(5)10/h1-3,7H,10H2,(H,11,12)
InChIKey
WTHRYAWCOFANQC-UHFFFAOYSA-N
Compound name
3-amino-6-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 135.5
[M+Na]+ 205.01391 146.2
[M-H]- 181.01741 137.4
[M+NH4]+ 200.05851 157.1
[M+K]+ 220.98785 140.7
[M+H-H2O]+ 165.02195 130.7
[M+HCOO]- 227.02289 152.9
[M+CH3COO]- 241.03854 149.0
[M+Na-2H]- 202.99936 140.1
[M]+ 182.02414 133.9
[M]- 182.02524 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.