CID 13295028

2250-48-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
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

No literature data available for this compound.

Patent stripe

patents stripe