CID 167733072

1-(2-chloropyridin-4-yl)-2-fluoroethan-1-one

Structural Information

Molecular Formula
C7H5ClFNO
SMILES
C1=CN=C(C=C1C(=O)CF)Cl
InChI
InChI=1S/C7H5ClFNO/c8-7-3-5(1-2-10-7)6(11)4-9/h1-3H,4H2
InChIKey
CXCJEFKEZRSRLK-UHFFFAOYSA-N
Compound name
1-(2-chloropyridin-4-yl)-2-fluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.00436 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.01164 129.6
[M+Na]+ 195.99358 143.1
[M+NH4]+ 191.03818 137.8
[M+K]+ 211.96752 136.5
[M-H]- 171.99708 129.8
[M+Na-2H]- 193.97903 136.7
[M]+ 173.00381 131.8
[M]- 173.00491 131.8
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.