CID 119083861

1234552-12-5

Structural Information

Molecular Formula
C7H5ClFNO
SMILES
C1=CC(=C(N=C1)Cl)C(=O)CF
InChI
InChI=1S/C7H5ClFNO/c8-7-5(6(11)4-9)2-1-3-10-7/h1-3H,4H2
InChIKey
YVOGOJHJNFCGCN-UHFFFAOYSA-N
Compound name
1-(2-chloropyridin-3-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 128.1
[M+Na]+ 195.99358 138.1
[M-H]- 171.99708 129.3
[M+NH4]+ 191.03818 148.0
[M+K]+ 211.96752 134.6
[M+H-H2O]+ 156.00162 121.9
[M+HCOO]- 218.00256 145.8
[M+CH3COO]- 232.01821 177.6
[M+Na-2H]- 193.97903 134.6
[M]+ 173.00381 129.1
[M]- 173.00491 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.