CID 155821459

2445785-87-3

Structural Information

Molecular Formula
C5H8FN
SMILES
C1C=CC(N1)CF
InChI
InChI=1S/C5H8FN/c6-4-5-2-1-3-7-5/h1-2,5,7H,3-4H2
InChIKey
MPFRHTQUAPJSEG-UHFFFAOYSA-N
Compound name
2-(fluoromethyl)-2,5-dihydro-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

101.06408 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.07136 117.1
[M+Na]+ 124.05330 124.6
[M-H]- 100.05680 116.4
[M+NH4]+ 119.09790 139.9
[M+K]+ 140.02724 123.0
[M+H-H2O]+ 84.061340 110.7
[M+HCOO]- 146.06228 138.3
[M+CH3COO]- 160.07793 162.5
[M+Na-2H]- 122.03875 123.0
[M]+ 101.06353 112.2
[M]- 101.06463 112.2
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.