CID 129799578

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.03317 Da
Monoisotopic Mass

1.7
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

No patent data available for this compound.