CID 16394998

3-(2-aminoethyl)-5-fluoro-2,3-dihydro-1h-indol-2-one hydrochloride

Structural Information

Molecular Formula
C10H11FN2O
SMILES
C1=CC2=C(C=C1F)C(C(=O)N2)CCN
InChI
InChI=1S/C10H11FN2O/c11-6-1-2-9-8(5-6)7(3-4-12)10(14)13-9/h1-2,5,7H,3-4,12H2,(H,13,14)
InChIKey
FKROBLPDKSTRDR-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)-5-fluoro-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.08554 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.09282 139.5
[M+Na]+ 217.07476 148.7
[M-H]- 193.07826 140.0
[M+NH4]+ 212.11936 159.8
[M+K]+ 233.04870 144.1
[M+H-H2O]+ 177.08280 132.7
[M+HCOO]- 239.08374 159.9
[M+CH3COO]- 253.09939 183.6
[M+Na-2H]- 215.06021 143.1
[M]+ 194.08499 135.6
[M]- 194.08609 135.6
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.