CID 44195675

2-fluoro-1-(4-nitrophenyl)ethan-1-one

Structural Information

Molecular Formula
C8H6FNO3
SMILES
C1=CC(=CC=C1C(=O)CF)[N+](=O)[O-]
InChI
InChI=1S/C8H6FNO3/c9-5-8(11)6-1-3-7(4-2-6)10(12)13/h1-4H,5H2
InChIKey
KXIIJBOUUGTPQD-UHFFFAOYSA-N
Compound name
2-fluoro-1-(4-nitrophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

183.03317 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.04045 132.9
[M+Na]+ 206.02239 140.5
[M-H]- 182.02589 135.6
[M+NH4]+ 201.06699 151.9
[M+K]+ 221.99633 135.1
[M+H-H2O]+ 166.03043 131.0
[M+HCOO]- 228.03137 157.4
[M+CH3COO]- 242.04702 175.2
[M+Na-2H]- 204.00784 139.9
[M]+ 183.03262 130.7
[M]- 183.03372 130.7
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

patents stripe