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]+ 232.05800 144.8
[M+Na]+ 254.03994 155.9
[M-H]- 230.04344 142.5
[M+NH4]+ 249.08454 165.5
[M+K]+ 270.01388 151.2
[M+H-H2O]+ 214.04798 138.2
[M+HCOO]- 276.04892 159.8
[M+CH3COO]- 290.06457 183.7
[M+Na-2H]- 252.02539 149.6
[M]+ 231.05017 139.7
[M]- 231.05127 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.