CID 22742120

Methyl 2-(4-fluoro-3-nitrophenyl)acetate

Structural Information

Molecular Formula
C9H8FNO4
SMILES
COC(=O)CC1=CC(=C(C=C1)F)[N+](=O)[O-]
InChI
InChI=1S/C9H8FNO4/c1-15-9(12)5-6-2-3-7(10)8(4-6)11(13)14/h2-4H,5H2,1H3
InChIKey
XRTVFSTWEJOKNN-UHFFFAOYSA-N
Compound name
methyl 2-(4-fluoro-3-nitrophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

213.04373 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.05101 139.7
[M+Na]+ 236.03295 151.8
[M+NH4]+ 231.07755 146.4
[M+K]+ 252.00689 149.5
[M-H]- 212.03645 140.6
[M+Na-2H]- 234.01840 144.8
[M]+ 213.04318 141.3
[M]- 213.04428 141.3
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