CID 155819914

(1r,2r)-2-(trifluoromethyl)cyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C6H6F3N
SMILES
C1C[C@H]([C@@H]1C#N)C(F)(F)F
InChI
InChI=1S/C6H6F3N/c7-6(8,9)5-2-1-4(5)3-10/h4-5H,1-2H2/t4-,5+/m0/s1
InChIKey
ZUMNYZFZORVRAO-CRCLSJGQSA-N
Compound name
(1R,2R)-2-(trifluoromethyl)cyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.04523 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05251 142.0
[M+Na]+ 172.03445 147.1
[M+NH4]+ 167.07905 142.1
[M+K]+ 188.00839 140.1
[M-H]- 148.03795 130.1
[M+Na-2H]- 170.01990 140.5
[M]+ 149.04468 137.5
[M]- 149.04578 137.5
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.