CID 22678323

5-fluoro-2-methoxynicotinaldehyde

Structural Information

Molecular Formula
C7H6FNO2
SMILES
COC1=C(C=C(C=N1)F)C=O
InChI
InChI=1S/C7H6FNO2/c1-11-7-5(4-10)2-6(8)3-9-7/h2-4H,1H3
InChIKey
YAGPZRLCMRMSFP-UHFFFAOYSA-N
Compound name
5-fluoro-2-methoxypyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

215
Patents

155.03825 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04553 125.5
[M+Na]+ 178.02747 136.0
[M-H]- 154.03097 127.3
[M+NH4]+ 173.07207 145.7
[M+K]+ 194.00141 134.5
[M+H-H2O]+ 138.03551 118.6
[M+HCOO]- 200.03645 149.1
[M+CH3COO]- 214.05210 176.0
[M+Na-2H]- 176.01292 133.0
[M]+ 155.03770 127.1
[M]- 155.03880 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

literature stripe

Patent stripe

patents stripe