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

literature stripe

Patent stripe

patents stripe