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

69
Patents

204.10628 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.11356 144.7
[M+Na]+ 227.09550 153.4
[M-H]- 203.09900 146.1
[M+NH4]+ 222.14010 161.3
[M+K]+ 243.06944 146.9
[M+H-H2O]+ 187.10354 130.5
[M+HCOO]- 249.10448 158.7
[M+CH3COO]- 263.12013 154.5
[M+Na-2H]- 225.08095 149.7
[M]+ 204.10573 132.7
[M]- 204.10683 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