CID 66718297

1-(3-fluoropropyl)-1h-pyrrole

Structural Information

Molecular Formula
C7H10FN
SMILES
C1=CN(C=C1)CCCF
InChI
InChI=1S/C7H10FN/c8-4-3-7-9-5-1-2-6-9/h1-2,5-6H,3-4,7H2
InChIKey
SAVKYOWIQLRVOW-UHFFFAOYSA-N
Compound name
1-(3-fluoropropyl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

127.07973 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.08701 123.4
[M+Na]+ 150.06895 131.6
[M-H]- 126.07245 124.2
[M+NH4]+ 145.11355 146.0
[M+K]+ 166.04289 130.2
[M+H-H2O]+ 110.07699 116.5
[M+HCOO]- 172.07793 147.0
[M+CH3COO]- 186.09358 171.0
[M+Na-2H]- 148.05440 129.8
[M]+ 127.07918 122.7
[M]- 127.08028 122.7
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

patents stripe