CID 87659274

2-chloro-3-fluoro-4-methoxypyridine

Structural Information

Molecular Formula
C6H5ClFNO
SMILES
COC1=C(C(=NC=C1)Cl)F
InChI
InChI=1S/C6H5ClFNO/c1-10-4-2-3-9-6(7)5(4)8/h2-3H,1H3
InChIKey
XRZFYEWVWSZOON-UHFFFAOYSA-N
Compound name
2-chloro-3-fluoro-4-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

161.00436 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.011636 124.2
[M+Na]+ 183.993578 135.6
[M-H]- 159.997084 125.8
[M+NH4]+ 179.038183 145.1
[M+K]+ 199.967518 132.5
[M+H-H2O]+ 144.001620 118.3
[M+HCOO]- 206.002561 143.1
[M+CH3COO]- 220.018211 175.8
[M+Na-2H]- 181.979026 131.8
[M]+ 161.00381142 126.5
[M]- 161.00490858 126.5
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