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

1
Patents

164.05614 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06342 127.1
[M+Na]+ 187.04536 136.5
[M-H]- 163.04886 124.1
[M+NH4]+ 182.08996 146.9
[M+K]+ 203.01930 133.2
[M+H-H2O]+ 147.05340 113.4
[M+HCOO]- 209.05434 140.3
[M+CH3COO]- 223.06999 185.1
[M+Na-2H]- 185.03081 132.2
[M]+ 164.05559 114.3
[M]- 164.05669 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