CID 118471177

1379331-55-1

Structural Information

Molecular Formula
C7H5FN2O4
SMILES
COC(=O)C1=CC(=C(N=C1)F)[N+](=O)[O-]
InChI
InChI=1S/C7H5FN2O4/c1-14-7(11)4-2-5(10(12)13)6(8)9-3-4/h2-3H,1H3
InChIKey
AFXLRSZOLSXZOJ-UHFFFAOYSA-N
Compound name
methyl 6-fluoro-5-nitropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

200.02333 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03061 134.4
[M+Na]+ 223.01255 143.3
[M-H]- 199.01605 136.3
[M+NH4]+ 218.05715 151.7
[M+K]+ 238.98649 138.5
[M+H-H2O]+ 183.02059 131.8
[M+HCOO]- 245.02153 158.2
[M+CH3COO]- 259.03718 177.3
[M+Na-2H]- 220.99800 141.9
[M]+ 200.02278 134.0
[M]- 200.02388 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

patents stripe