CID 2758998

685892-18-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.04373 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.05101 139.1
[M+Na]+ 236.03295 148.1
[M-H]- 212.03645 142.4
[M+NH4]+ 231.07755 157.5
[M+K]+ 252.00689 143.0
[M+H-H2O]+ 196.04099 137.3
[M+HCOO]- 258.04193 163.5
[M+CH3COO]- 272.05758 182.6
[M+Na-2H]- 234.01840 144.6
[M]+ 213.04318 139.5
[M]- 213.04428 139.5
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.