CID 2801696

3-hydroxy-3-(trifluoromethyl)indolin-2-one

Structural Information

Molecular Formula
C9H6F3NO2
SMILES
C1=CC=C2C(=C1)C(C(=O)N2)(C(F)(F)F)O
InChI
InChI=1S/C9H6F3NO2/c10-9(11,12)8(15)5-3-1-2-4-6(5)13-7(8)14/h1-4,15H,(H,13,14)
InChIKey
GDDKVRXIZHLJJU-UHFFFAOYSA-N
Compound name
3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

24
Patents

217.03506 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.04234 140.7
[M+Na]+ 240.02428 151.3
[M-H]- 216.02778 138.1
[M+NH4]+ 235.06888 161.6
[M+K]+ 255.99822 146.8
[M+H-H2O]+ 200.03232 133.9
[M+HCOO]- 262.03326 156.0
[M+CH3COO]- 276.04891 179.5
[M+Na-2H]- 238.00973 146.6
[M]+ 217.03451 134.8
[M]- 217.03561 134.8
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.