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]+ 164.03178 126.2
[M+Na]+ 186.01372 134.0
[M-H]- 162.01722 125.4
[M+NH4]+ 181.05832 133.2
[M+K]+ 201.98766 137.0
[M+H-H2O]+ 146.02176 110.9
[M+HCOO]- 208.02270 140.1
[M+CH3COO]- 222.03835 188.8
[M+Na-2H]- 183.99917 131.8
[M]+ 163.02395 138.5
[M]- 163.02505 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.