CID 49769449

Chembl2262684

Structural Information

Molecular Formula
C12H10F3NO3
SMILES
CC1=CC2=C(C=C1)N(C(=O)C2(C(F)(F)F)O)C(=O)C
InChI
InChI=1S/C12H10F3NO3/c1-6-3-4-9-8(5-6)11(19,12(13,14)15)10(18)16(9)7(2)17/h3-5,19H,1-2H3
InChIKey
MUFFMJNIMVWMQU-UHFFFAOYSA-N
Compound name
1-acetyl-3-hydroxy-5-methyl-3-(trifluoromethyl)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.06128 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.06856 154.2
[M+Na]+ 296.05050 165.7
[M-H]- 272.05400 153.4
[M+NH4]+ 291.09510 174.1
[M+K]+ 312.02444 162.0
[M+H-H2O]+ 256.05854 147.6
[M+HCOO]- 318.05948 169.4
[M+CH3COO]- 332.07513 195.0
[M+Na-2H]- 294.03595 156.9
[M]+ 273.06073 152.1
[M]- 273.06183 152.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.