CID 16768191

2-fluoro-6-(piperazin-1-yl)benzonitrile hydrochloride

Structural Information

Molecular Formula
C11H12FN3
SMILES
C1CN(CCN1)C2=C(C(=CC=C2)F)C#N
InChI
InChI=1S/C11H12FN3/c12-10-2-1-3-11(9(10)8-13)15-6-4-14-5-7-15/h1-3,14H,4-7H2
InChIKey
YTXMIHGQCNDLOD-UHFFFAOYSA-N
Compound name
2-fluoro-6-piperazin-1-ylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

205.10153 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.10881 150.4
[M+Na]+ 228.09075 162.2
[M+NH4]+ 223.13535 154.5
[M+K]+ 244.06469 151.9
[M-H]- 204.09425 144.4
[M+Na-2H]- 226.07620 154.1
[M]+ 205.10098 149.4
[M]- 205.10208 149.4
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