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

8
Patents

228.05104 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.05832 144.5
[M+Na]+ 251.04026 156.5
[M-H]- 227.04376 142.6
[M+NH4]+ 246.08486 161.7
[M+K]+ 267.01420 150.5
[M+H-H2O]+ 211.04830 130.2
[M+HCOO]- 273.04924 157.7
[M+CH3COO]- 287.06489 197.6
[M+Na-2H]- 249.02571 147.8
[M]+ 228.05049 134.5
[M]- 228.05159 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