CID 122164150

2-(trifluoromethyl)pyrrolidine-2-carbonitrile

Structural Information

Molecular Formula
C6H7F3N2
SMILES
C1CC(NC1)(C#N)C(F)(F)F
InChI
InChI=1S/C6H7F3N2/c7-6(8,9)5(4-10)2-1-3-11-5/h11H,1-3H2
InChIKey
BKQHTKPSIIMRMV-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)pyrrolidine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

164.05614 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.063416 127.1
[M+Na]+ 187.045358 136.5
[M-H]- 163.048864 124.1
[M+NH4]+ 182.089963 146.9
[M+K]+ 203.019298 133.2
[M+H-H2O]+ 147.053400 113.4
[M+HCOO]- 209.054341 140.3
[M+CH3COO]- 223.069991 185.1
[M+Na-2H]- 185.030806 132.2
[M]+ 164.05559142 114.3
[M]- 164.05668858 114.3
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