CID 22337995

1-(2-fluoro-3-hydroxy-6-nitrophenyl)propan-2-one

Structural Information

Molecular Formula
C9H8FNO4
SMILES
CC(=O)CC1=C(C=CC(=C1F)O)[N+](=O)[O-]
InChI
InChI=1S/C9H8FNO4/c1-5(12)4-6-7(11(14)15)2-3-8(13)9(6)10/h2-3,13H,4H2,1H3
InChIKey
IPRZVDNMKMONNN-UHFFFAOYSA-N
Compound name
1-(2-fluoro-3-hydroxy-6-nitrophenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

77
Patents

213.04373 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.051006 139.3
[M+Na]+ 236.032948 147.8
[M-H]- 212.036454 141.1
[M+NH4]+ 231.077553 156.9
[M+K]+ 252.006888 141.8
[M+H-H2O]+ 196.040990 137.7
[M+HCOO]- 258.041931 162.1
[M+CH3COO]- 272.057581 179.8
[M+Na-2H]- 234.018396 144.3
[M]+ 213.04318142 137.8
[M]- 213.04427858 137.8
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