CID 2760282

371967-27-0

Structural Information

Molecular Formula
C10H7F3N2O
SMILES
C1CC2=C(C1)NC(=O)C(=C2C(F)(F)F)C#N
InChI
InChI=1S/C10H7F3N2O/c11-10(12,13)8-5-2-1-3-7(5)15-9(16)6(8)4-14/h1-3H2,(H,15,16)
InChIKey
QFPNKURDNFJADK-UHFFFAOYSA-N
Compound name
2-oxo-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

228.05104 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.058316 144.5
[M+Na]+ 251.040258 156.5
[M-H]- 227.043764 142.6
[M+NH4]+ 246.084863 161.7
[M+K]+ 267.014198 150.5
[M+H-H2O]+ 211.048300 130.2
[M+HCOO]- 273.049241 157.7
[M+CH3COO]- 287.064891 197.6
[M+Na-2H]- 249.025706 147.8
[M]+ 228.05049142 134.5
[M]- 228.05158858 134.5
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