CID 2758353

824413-96-9

Structural Information

Molecular Formula
C7H10F2N2
SMILES
C1CN(CCC1(F)F)CC#N
InChI
InChI=1S/C7H10F2N2/c8-7(9)1-4-11(5-2-7)6-3-10/h1-2,4-6H2
InChIKey
TWBCLLDJDFMGNF-UHFFFAOYSA-N
Compound name
2-(4,4-difluoropiperidin-1-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

160.0812 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08848 124.6
[M+Na]+ 183.07042 133.8
[M-H]- 159.07392 124.0
[M+NH4]+ 178.11502 143.8
[M+K]+ 199.04436 131.0
[M+H-H2O]+ 143.07846 111.2
[M+HCOO]- 205.07940 139.4
[M+CH3COO]- 219.09505 189.2
[M+Na-2H]- 181.05587 130.5
[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

patents stripe