CID 80274229

Ethyl 2-fluoro-4-methyl-5-nitrobenzoate

Structural Information

Molecular Formula
C10H10FNO4
SMILES
CCOC(=O)C1=C(C=C(C(=C1)[N+](=O)[O-])C)F
InChI
InChI=1S/C10H10FNO4/c1-3-16-10(13)7-5-9(12(14)15)6(2)4-8(7)11/h4-5H,3H2,1-2H3
InChIKey
DAJPTKBHEPWQTP-UHFFFAOYSA-N
Compound name
ethyl 2-fluoro-4-methyl-5-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

227.05939 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06667 144.3
[M+Na]+ 250.04861 156.5
[M+NH4]+ 245.09321 150.8
[M+K]+ 266.02255 154.2
[M-H]- 226.05211 145.2
[M+Na-2H]- 248.03406 148.9
[M]+ 227.05884 146.0
[M]- 227.05994 146.0
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