CID 57469591

3-fluoro-2,5-dihydro-1h-pyrrole;hydrochloride

Structural Information

Molecular Formula
C4H6FN
SMILES
C1C=C(CN1)F
InChI
InChI=1S/C4H6FN/c5-4-1-2-6-3-4/h1,6H,2-3H2
InChIKey
LUTBBSKDGQJPJM-UHFFFAOYSA-N
Compound name
3-fluoro-2,5-dihydro-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

87.04842 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.055696 114.6
[M+Na]+ 110.03764 124.8
[M+NH4]+ 105.08224 123.2
[M+K]+ 126.01158 120.9
[M-H]- 86.041144 114.1
[M+Na-2H]- 108.02309 119.9
[M]+ 87.047871 115.6
[M]- 87.048969 115.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe