CID 145874744

1-(3-fluoropropyl)-2,5-dihydro-1h-pyrrole

Structural Information

Molecular Formula
C7H12FN
SMILES
C1C=CCN1CCCF
InChI
InChI=1S/C7H12FN/c8-4-3-7-9-5-1-2-6-9/h1-2H,3-7H2
InChIKey
PEBFLCWSAVSGMJ-UHFFFAOYSA-N
Compound name
1-(3-fluoropropyl)-2,5-dihydropyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.09538 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.10266 125.7
[M+Na]+ 152.08460 132.8
[M-H]- 128.08810 126.1
[M+NH4]+ 147.12920 148.1
[M+K]+ 168.05854 131.6
[M+H-H2O]+ 112.09264 118.6
[M+HCOO]- 174.09358 147.8
[M+CH3COO]- 188.10923 171.3
[M+Na-2H]- 150.07005 131.0
[M]+ 129.09483 123.4
[M]- 129.09593 123.4
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

No patent data available for this compound.