CID 146049466

2411239-01-3

Structural Information

Molecular Formula
C5H9FN2O
SMILES
C1CN(CCN1)C(=O)F
InChI
InChI=1S/C5H9FN2O/c6-5(9)8-3-1-7-2-4-8/h7H,1-4H2
InChIKey
KTCTYJQWBSTLPO-UHFFFAOYSA-N
Compound name
piperazine-1-carbonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

132.06989 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.07717 126.4
[M+Na]+ 155.05911 132.1
[M-H]- 131.06261 123.8
[M+NH4]+ 150.10371 144.5
[M+K]+ 171.03305 130.8
[M+H-H2O]+ 115.06715 118.8
[M+HCOO]- 177.06809 142.2
[M+CH3COO]- 191.08374 167.1
[M+Na-2H]- 153.04456 131.4
[M]+ 132.06934 118.6
[M]- 132.07044 118.6
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

No patent data available for this compound.