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-chloro-4-pyridinyl)-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]+ 174.011636 128.1
[M+Na]+ 195.993578 138.1
[M-H]- 171.997084 129.3
[M+NH4]+ 191.038183 148.0
[M+K]+ 211.967518 134.6
[M+H-H2O]+ 156.001620 121.9
[M+HCOO]- 218.002561 145.8
[M+CH3COO]- 232.018211 177.6
[M+Na-2H]- 193.979026 134.6
[M]+ 173.00381142 129.1
[M]- 173.00490858 129.1
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.