CID 23087388

3-fluoro-4-(piperidin-4-yloxy)benzonitrile hydrochloride

Structural Information

Molecular Formula
C12H13FN2O
SMILES
C1CNCCC1OC2=C(C=C(C=C2)C#N)F
InChI
InChI=1S/C12H13FN2O/c13-11-7-9(8-14)1-2-12(11)16-10-3-5-15-6-4-10/h1-2,7,10,15H,3-6H2
InChIKey
NIMFRKLBAOBENN-UHFFFAOYSA-N
Compound name
3-fluoro-4-piperidin-4-yloxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

220.1012 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.10848 145.9
[M+Na]+ 243.09042 154.1
[M-H]- 219.09392 147.0
[M+NH4]+ 238.13502 160.2
[M+K]+ 259.06436 148.7
[M+H-H2O]+ 203.09846 131.2
[M+HCOO]- 265.09940 160.0
[M+CH3COO]- 279.11505 197.0
[M+Na-2H]- 241.07587 149.5
[M]+ 220.10065 135.1
[M]- 220.10175 135.1
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