CID 119053189

Ethyl 2-(5-amino-3,3-difluoro-2-oxo-2,3-dihydro-1h-indol-1-yl)acetate

Structural Information

Molecular Formula
C12H12F2N2O3
SMILES
CCOC(=O)CN1C2=C(C=C(C=C2)N)C(C1=O)(F)F
InChI
InChI=1S/C12H12F2N2O3/c1-2-19-10(17)6-16-9-4-3-7(15)5-8(9)12(13,14)11(16)18/h3-5H,2,6,15H2,1H3
InChIKey
AVBMFXQSIUHVKT-UHFFFAOYSA-N
Compound name
ethyl 2-(5-amino-3,3-difluoro-2-oxoindol-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0816 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08888 154.8
[M+Na]+ 293.07082 165.2
[M-H]- 269.07432 155.7
[M+NH4]+ 288.11542 174.7
[M+K]+ 309.04476 161.9
[M+H-H2O]+ 253.07886 147.5
[M+HCOO]- 315.07980 174.5
[M+CH3COO]- 329.09545 199.4
[M+Na-2H]- 291.05627 156.9
[M]+ 270.08105 154.6
[M]- 270.08215 154.6
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.