CID 105530190

2-(3,3-difluoropiperidin-4-yl)acetonitrile

Structural Information

Molecular Formula
C7H10F2N2
SMILES
C1CNCC(C1CC#N)(F)F
InChI
InChI=1S/C7H10F2N2/c8-7(9)5-11-4-2-6(7)1-3-10/h6,11H,1-2,4-5H2
InChIKey
NOYBHOHYYARDNB-UHFFFAOYSA-N
Compound name
2-(3,3-difluoropiperidin-4-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.0812 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08848 126.3
[M+Na]+ 183.07042 135.1
[M-H]- 159.07392 124.5
[M+NH4]+ 178.11502 144.9
[M+K]+ 199.04436 131.5
[M+H-H2O]+ 143.07846 113.2
[M+HCOO]- 205.07940 139.7
[M+CH3COO]- 219.09505 186.7
[M+Na-2H]- 181.05587 131.7
[M]+ 160.08065 114.1
[M]- 160.08175 114.1
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.