CID 155822255

2005657-56-5

Structural Information

Molecular Formula
C10H10ClFN2O
SMILES
C1CN(CC1F)C(=O)C2=CC(=NC=C2)Cl
InChI
InChI=1S/C10H10ClFN2O/c11-9-5-7(1-3-13-9)10(15)14-4-2-8(12)6-14/h1,3,5,8H,2,4,6H2
InChIKey
YQAHVVDEJRWMKD-UHFFFAOYSA-N
Compound name
(2-chloropyridin-4-yl)-(3-fluoropyrrolidin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.04657 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.05385 146.5
[M+Na]+ 251.03579 155.3
[M-H]- 227.03929 149.0
[M+NH4]+ 246.08039 164.4
[M+K]+ 267.00973 150.9
[M+H-H2O]+ 211.04383 138.1
[M+HCOO]- 273.04477 161.1
[M+CH3COO]- 287.06042 186.0
[M+Na-2H]- 249.02124 148.2
[M]+ 228.04602 144.7
[M]- 228.04712 144.7
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

No patent data available for this compound.