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]+ 184.040446 132.9
[M+Na]+ 206.022388 140.5
[M-H]- 182.025894 135.6
[M+NH4]+ 201.066993 151.9
[M+K]+ 221.996328 135.1
[M+H-H2O]+ 166.030430 131.0
[M+HCOO]- 228.031371 157.4
[M+CH3COO]- 242.047021 175.2
[M+Na-2H]- 204.007836 139.9
[M]+ 183.03262142 130.7
[M]- 183.03371858 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.