CID 44754784

884494-73-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
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

No literature data available for this compound.

Patent stripe

patents stripe