CID 11644034

866579-96-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
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

No literature data available for this compound.

Patent stripe

patents stripe