CID 2734612

4'-fluoro-3'-nitroacetophenone

Structural Information

Molecular Formula
C8H6FNO3
SMILES
CC(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]
InChI
InChI=1S/C8H6FNO3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-4H,1H3
InChIKey
PTCNZDJJIOLIKQ-UHFFFAOYSA-N
Compound name
1-(4-fluoro-3-nitrophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

486
Patents

183.03317 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.04045 132.1
[M+Na]+ 206.02239 144.8
[M+NH4]+ 201.06699 139.5
[M+K]+ 221.99633 142.2
[M-H]- 182.02589 133.5
[M+Na-2H]- 204.00784 137.9
[M]+ 183.03262 134.0
[M]- 183.03372 134.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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