CID 592761

Methyl 3-fluoro-4-nitrobenzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

971
Patents

199.02809 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.03537 135.2
[M+Na]+ 222.01731 147.5
[M+NH4]+ 217.06191 142.0
[M+K]+ 237.99125 145.4
[M-H]- 198.02081 136.1
[M+Na-2H]- 220.00276 140.5
[M]+ 199.02754 136.9
[M]- 199.02864 136.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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