CID 57549201

2-chloro-5-fluoro-3-methoxypyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

161.00436 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.01164 124.2
[M+Na]+ 183.99358 135.6
[M-H]- 159.99708 125.8
[M+NH4]+ 179.03818 145.1
[M+K]+ 199.96752 132.5
[M+H-H2O]+ 144.00162 118.3
[M+HCOO]- 206.00256 143.1
[M+CH3COO]- 220.01821 175.8
[M+Na-2H]- 181.97903 131.8
[M]+ 161.00381 126.5
[M]- 161.00491 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