CID 10845859

4-(4-fluorophenyl)piperidine-4-carbonitrile hydrochloride

Structural Information

Molecular Formula
C12H13FN2
SMILES
C1CNCCC1(C#N)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H13FN2/c13-11-3-1-10(2-4-11)12(9-14)5-7-15-8-6-12/h1-4,15H,5-8H2
InChIKey
RQYTTWXPAPNGEO-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)piperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

204.10628 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.113556 144.7
[M+Na]+ 227.095498 153.4
[M-H]- 203.099004 146.1
[M+NH4]+ 222.140103 161.3
[M+K]+ 243.069438 146.9
[M+H-H2O]+ 187.103540 130.5
[M+HCOO]- 249.104481 158.7
[M+CH3COO]- 263.120131 154.5
[M+Na-2H]- 225.080946 149.7
[M]+ 204.10573142 132.7
[M]- 204.10682858 132.7
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