CID 155820511

6-(trifluoromethyl)-2-azabicyclo[2.2.0]hex-5-en-3-one

Structural Information

Molecular Formula
C6H4F3NO
SMILES
C1=C(C2C1C(=O)N2)C(F)(F)F
InChI
InChI=1S/C6H4F3NO/c7-6(8,9)3-1-2-4(3)10-5(2)11/h1-2,4H,(H,10,11)
InChIKey
WQWRIRVYMMRDQW-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)-2-azabicyclo[2.2.0]hex-5-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.0245 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.031776 126.2
[M+Na]+ 186.013718 134.0
[M-H]- 162.017224 125.4
[M+NH4]+ 181.058323 133.2
[M+K]+ 201.987658 137.0
[M+H-H2O]+ 146.021760 110.9
[M+HCOO]- 208.022701 140.1
[M+CH3COO]- 222.038351 188.8
[M+Na-2H]- 183.999166 131.8
[M]+ 163.02395142 138.5
[M]- 163.02504858 138.5
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

No patent data available for this compound.