CID 170917842

Tert-butyl 3-fluoro-5-formylpyridine-4-carboxylate

Structural Information

Molecular Formula
C11H12FNO3
SMILES
CC(C)(C)OC(=O)C1=C(C=NC=C1C=O)F
InChI
InChI=1S/C11H12FNO3/c1-11(2,3)16-10(15)9-7(6-14)4-13-5-8(9)12/h4-6H,1-3H3
InChIKey
PAMLEMTWXDLUQS-UHFFFAOYSA-N
Compound name
tert-butyl 3-fluoro-5-formylpyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.08012 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08740 146.2
[M+Na]+ 248.06934 155.5
[M-H]- 224.07284 147.9
[M+NH4]+ 243.11394 163.7
[M+K]+ 264.04328 154.0
[M+H-H2O]+ 208.07738 139.3
[M+HCOO]- 270.07832 166.4
[M+CH3COO]- 284.09397 189.1
[M+Na-2H]- 246.05479 151.2
[M]+ 225.07957 148.7
[M]- 225.08067 148.7
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

No patent data available for this compound.