CID 3734457

5-(trifluoromethyl)oxindole

Structural Information

Molecular Formula
C9H6F3NO
SMILES
C1C2=C(C=CC(=C2)C(F)(F)F)NC1=O
InChI
InChI=1S/C9H6F3NO/c10-9(11,12)6-1-2-7-5(3-6)4-8(14)13-7/h1-3H,4H2,(H,13,14)
InChIKey
RANTVMNWZIWPNR-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

189
Patents

201.04015 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.04743 137.3
[M+Na]+ 224.02937 147.4
[M-H]- 200.03287 135.7
[M+NH4]+ 219.07397 157.6
[M+K]+ 240.00331 143.1
[M+H-H2O]+ 184.03741 129.6
[M+HCOO]- 246.03835 153.9
[M+CH3COO]- 260.05400 180.4
[M+Na-2H]- 222.01482 142.3
[M]+ 201.03960 131.4
[M]- 201.04070 131.4
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