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]+ 214.051006 139.1
[M+Na]+ 236.032948 148.1
[M-H]- 212.036454 142.4
[M+NH4]+ 231.077553 157.5
[M+K]+ 252.006888 143.0
[M+H-H2O]+ 196.040990 137.3
[M+HCOO]- 258.041931 163.5
[M+CH3COO]- 272.057581 182.6
[M+Na-2H]- 234.018396 144.6
[M]+ 213.04318142 139.5
[M]- 213.04427858 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.