CID 12793176

Ethyl 2-fluoro-5-nitrobenzoate

Structural Information

Molecular Formula
C9H8FNO4
SMILES
CCOC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])F
InChI
InChI=1S/C9H8FNO4/c1-2-15-9(12)7-5-6(11(13)14)3-4-8(7)10/h3-5H,2H2,1H3
InChIKey
UJIPWFPJAVYMHV-UHFFFAOYSA-N
Compound name
ethyl 2-fluoro-5-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

213.04373 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.05101 140.3
[M+Na]+ 236.03295 148.4
[M-H]- 212.03645 143.2
[M+NH4]+ 231.07755 158.4
[M+K]+ 252.00689 143.2
[M+H-H2O]+ 196.04099 138.2
[M+HCOO]- 258.04193 164.7
[M+CH3COO]- 272.05758 180.7
[M+Na-2H]- 234.01840 146.3
[M]+ 213.04318 140.1
[M]- 213.04428 140.1
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