CID 16228156

1181457-89-5

Structural Information

Molecular Formula

C₁₂H₁₅FN₂O

SMILES

CC1=C(C=C(C=C1)C(=O)N2CCNCC2)F

InChI

InChI=1S/C12H15FN2O/c1-9-2-3-10(8-11(9)13)12(16)15-6-4-14-5-7-15/h2-3,8,14H,4-7H2,1H3

InChIKey

WSCWBOGWEMADSQ-UHFFFAOYSA-N

Compound name

(3-fluoro-4-methylphenyl)-piperazin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 222.11684 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	223.12412	152.1
[M+Na]+	245.10606	163.6
[M+NH4]+	240.15066	159.0
[M+K]+	261.08000	157.3
[M-H]-	221.10956	153.0
[M+Na-2H]-	243.09151	157.8
[M]+	222.11629	153.7
[M]-	222.11739	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe