CID 20232

2-fluoroethyl (4-nitrophenyl)acetate

Structural Information

Molecular Formula
C10H10FNO4
SMILES
C1=CC(=CC=C1CC(=O)OCCF)[N+](=O)[O-]
InChI
InChI=1S/C10H10FNO4/c11-5-6-16-10(13)7-8-1-3-9(4-2-8)12(14)15/h1-4H,5-7H2
InChIKey
GTCNCFMJBMQOJT-UHFFFAOYSA-N
Compound name
2-fluoroethyl 2-(4-nitrophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.05939 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06667 146.1
[M+Na]+ 250.04861 152.8
[M-H]- 226.05211 148.4
[M+NH4]+ 245.09321 163.2
[M+K]+ 266.02255 147.3
[M+H-H2O]+ 210.05665 143.5
[M+HCOO]- 272.05759 170.1
[M+CH3COO]- 286.07324 182.7
[M+Na-2H]- 248.03406 152.1
[M]+ 227.05884 145.9
[M]- 227.05994 145.9
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

No patent data available for this compound.