CID 11836404

5-chloro-3-hydroxy-3-(trifluoromethyl)indolin-2-one

Structural Information

Molecular Formula
C9H5ClF3NO2
SMILES
C1=CC2=C(C=C1Cl)C(C(=O)N2)(C(F)(F)F)O
InChI
InChI=1S/C9H5ClF3NO2/c10-4-1-2-6-5(3-4)8(16,7(15)14-6)9(11,12)13/h1-3,16H,(H,14,15)
InChIKey
PVEZDIBAGODJCC-UHFFFAOYSA-N
Compound name
5-chloro-3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

250.9961 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.00338 145.1
[M+Na]+ 273.98532 157.4
[M-H]- 249.98882 142.7
[M+NH4]+ 269.02992 165.8
[M+K]+ 289.95926 151.0
[M+H-H2O]+ 233.99336 139.2
[M+HCOO]- 295.99430 155.9
[M+CH3COO]- 310.00995 184.5
[M+Na-2H]- 271.97077 150.0
[M]+ 250.99555 141.6
[M]- 250.99665 141.6
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