CID 20552210

1-(3-fluoro-4-nitrophenyl)ethanone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

183.03317 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.04045 131.9
[M+Na]+ 206.02239 140.6
[M-H]- 182.02589 135.0
[M+NH4]+ 201.06699 151.3
[M+K]+ 221.99633 135.2
[M+H-H2O]+ 166.03043 130.4
[M+HCOO]- 228.03137 156.5
[M+CH3COO]- 242.04702 176.3
[M+Na-2H]- 204.00784 138.4
[M]+ 183.03262 130.2
[M]- 183.03372 130.2
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