CID 608487

6-trifluoromethyloxindole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

335
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

literature stripe

Patent stripe

patents stripe