CID 123500357

1227579-70-5

Structural Information

Molecular Formula
C7H6FNO2
SMILES
COC1=C(C=CN=C1F)C=O
InChI
InChI=1S/C7H6FNO2/c1-11-6-5(4-10)2-3-9-7(6)8/h2-4H,1H3
InChIKey
ILJFMUXZOGQXCN-UHFFFAOYSA-N
Compound name
2-fluoro-3-methoxypyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

155.03825 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.045526 125.5
[M+Na]+ 178.027468 136.0
[M-H]- 154.030974 127.3
[M+NH4]+ 173.072073 145.7
[M+K]+ 194.001408 134.5
[M+H-H2O]+ 138.035510 118.6
[M+HCOO]- 200.036451 149.1
[M+CH3COO]- 214.052101 176.0
[M+Na-2H]- 176.012916 133.0
[M]+ 155.03770142 127.1
[M]- 155.03879858 127.1
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

patents stripe