CID 71699981

1-(5-chloro-3-fluoropyridin-2-yl)ethanone

Structural Information

Molecular Formula
C7H5ClFNO
SMILES
CC(=O)C1=C(C=C(C=N1)Cl)F
InChI
InChI=1S/C7H5ClFNO/c1-4(11)7-6(9)2-5(8)3-10-7/h2-3H,1H3
InChIKey
BSYSWMMFVSYQOU-UHFFFAOYSA-N
Compound name
1-(5-chloro-3-fluoro-2-pyridinyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

173.00436 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.011636 127.4
[M+Na]+ 195.993578 138.4
[M-H]- 171.997084 129.0
[M+NH4]+ 191.038183 147.7
[M+K]+ 211.967518 134.9
[M+H-H2O]+ 156.001620 121.5
[M+HCOO]- 218.002561 145.2
[M+CH3COO]- 232.018211 178.7
[M+Na-2H]- 193.979026 133.3
[M]+ 173.00381142 128.8
[M]- 173.00490858 128.8
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

patents stripe