CID 82652220

5-(trifluoromethyl)furan-2-carbonitrile

Structural Information

Molecular Formula
C6H2F3NO
SMILES
C1=C(OC(=C1)C(F)(F)F)C#N
InChI
InChI=1S/C6H2F3NO/c7-6(8,9)5-2-1-4(3-10)11-5/h1-2H
InChIKey
AOHPUOFCTXGLBJ-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)furan-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.00885 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.01613 122.3
[M+Na]+ 183.99807 134.0
[M-H]- 160.00157 122.9
[M+NH4]+ 179.04267 141.5
[M+K]+ 199.97201 132.8
[M+H-H2O]+ 144.00611 108.8
[M+HCOO]- 206.00705 140.0
[M+CH3COO]- 220.02270 187.6
[M+Na-2H]- 181.98352 129.0
[M]+ 161.00830 115.2
[M]- 161.00940 115.2
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

No patent data available for this compound.