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 141.9
[M+Na]+ 228.09075 150.2
[M-H]- 204.09425 141.6
[M+NH4]+ 223.13535 155.4
[M+K]+ 244.06469 144.7
[M+H-H2O]+ 188.09879 126.4
[M+HCOO]- 250.09973 154.7
[M+CH3COO]- 264.11538 151.2
[M+Na-2H]- 226.07620 146.0
[M]+ 205.10098 129.9
[M]- 205.10208 129.9
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