CID 25307163

2-oxo-5-(trifluoromethoxy)indoline

Structural Information

Molecular Formula
C9H6F3NO2
SMILES
C1C2=C(C=CC(=C2)OC(F)(F)F)NC1=O
InChI
InChI=1S/C9H6F3NO2/c10-9(11,12)15-6-1-2-7-5(3-6)4-8(14)13-7/h1-3H,4H2,(H,13,14)
InChIKey
NJZFZLIOCDIELL-UHFFFAOYSA-N
Compound name
5-(trifluoromethoxy)-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

217.03506 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.042336 140.3
[M+Na]+ 240.024278 150.3
[M-H]- 216.027784 138.7
[M+NH4]+ 235.068883 159.9
[M+K]+ 255.998218 146.5
[M+H-H2O]+ 200.032320 132.5
[M+HCOO]- 262.033261 157.1
[M+CH3COO]- 276.048911 182.4
[M+Na-2H]- 238.009726 145.4
[M]+ 217.03451142 135.9
[M]- 217.03560858 135.9
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

patents stripe