CID 72213538

Methyl 6-fluoro-5-formylpyridine-2-carboxylate

Structural Information

Molecular Formula
C8H6FNO3
SMILES
COC(=O)C1=NC(=C(C=C1)C=O)F
InChI
InChI=1S/C8H6FNO3/c1-13-8(12)6-3-2-5(4-11)7(9)10-6/h2-4H,1H3
InChIKey
BLDIHXGOJXUTEL-UHFFFAOYSA-N
Compound name
methyl 6-fluoro-5-formylpyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.03317 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.040446 132.1
[M+Na]+ 206.022388 142.1
[M-H]- 182.025894 133.8
[M+NH4]+ 201.066993 151.0
[M+K]+ 221.996328 140.8
[M+H-H2O]+ 166.030430 125.0
[M+HCOO]- 228.031371 154.8
[M+CH3COO]- 242.047021 180.4
[M+Na-2H]- 204.007836 137.8
[M]+ 183.03262142 134.0
[M]- 183.03371858 134.0
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.