CID 1718499

(3s)-3-hydroxy-6-methyl-3-(trifluoromethyl)-1,3-dihydro-2h-indol-2-one

Structural Information

Molecular Formula
C10H8F3NO2
SMILES
CC1=CC2=C(C=C1)[C@](C(=O)N2)(C(F)(F)F)O
InChI
InChI=1S/C10H8F3NO2/c1-5-2-3-6-7(4-5)14-8(15)9(6,16)10(11,12)13/h2-4,16H,1H3,(H,14,15)/t9-/m0/s1
InChIKey
FIEVIPASBRMCMZ-VIFPVBQESA-N
Compound name
(3S)-3-hydroxy-6-methyl-3-(trifluoromethyl)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.05072 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.057996 144.8
[M+Na]+ 254.039938 155.9
[M-H]- 230.043444 142.5
[M+NH4]+ 249.084543 165.5
[M+K]+ 270.013878 151.2
[M+H-H2O]+ 214.047980 138.2
[M+HCOO]- 276.048921 159.8
[M+CH3COO]- 290.064571 183.7
[M+Na-2H]- 252.025386 149.6
[M]+ 231.05017142 139.7
[M]- 231.05126858 139.7
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.