CID 13470961

Methyl 2-fluoro-3-nitrobenzoate

Structural Information

Molecular Formula
C8H6FNO4
SMILES
COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])F
InChI
InChI=1S/C8H6FNO4/c1-14-8(11)5-3-2-4-6(7(5)9)10(12)13/h2-4H,1H3
InChIKey
VEKYKLDXYNUERO-UHFFFAOYSA-N
Compound name
methyl 2-fluoro-3-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

231
Patents

199.02809 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.03537 135.3
[M+Na]+ 222.01731 143.8
[M-H]- 198.02081 138.4
[M+NH4]+ 217.06191 153.9
[M+K]+ 237.99125 138.9
[M+H-H2O]+ 182.02535 133.4
[M+HCOO]- 244.02629 160.0
[M+CH3COO]- 258.04194 177.7
[M+Na-2H]- 220.00276 141.9
[M]+ 199.02754 134.8
[M]- 199.02864 134.8
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