CID 46942210

4-fluoropiperidine-4-carbonitrile hydrochloride

Structural Information

Molecular Formula
C6H9FN2
SMILES
C1CNCCC1(C#N)F
InChI
InChI=1S/C6H9FN2/c7-6(5-8)1-3-9-4-2-6/h9H,1-4H2
InChIKey
DEEYWONXIDDLIT-UHFFFAOYSA-N
Compound name
4-fluoropiperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

128.07498 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.08226 122.3
[M+Na]+ 151.06420 130.7
[M-H]- 127.06770 121.6
[M+NH4]+ 146.10880 141.9
[M+K]+ 167.03814 127.6
[M+H-H2O]+ 111.07224 109.9
[M+HCOO]- 173.07318 136.9
[M+CH3COO]- 187.08883 180.6
[M+Na-2H]- 149.04965 129.1
[M]+ 128.07443 110.5
[M]- 128.07553 110.5
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

patents stripe