CID 11665587

1-(4-fluoro-2-nitrophenyl)propan-2-one

Structural Information

Molecular Formula
C9H8FNO3
SMILES
CC(=O)CC1=C(C=C(C=C1)F)[N+](=O)[O-]
InChI
InChI=1S/C9H8FNO3/c1-6(12)4-7-2-3-8(10)5-9(7)11(13)14/h2-3,5H,4H2,1H3
InChIKey
ZUSSYVUYWCVGHV-UHFFFAOYSA-N
Compound name
1-(4-fluoro-2-nitrophenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

197.04883 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.056106 136.9
[M+Na]+ 220.038048 145.1
[M-H]- 196.041554 139.8
[M+NH4]+ 215.082653 155.7
[M+K]+ 236.011988 139.5
[M+H-H2O]+ 180.046090 135.1
[M+HCOO]- 242.047031 161.1
[M+CH3COO]- 256.062681 179.4
[M+Na-2H]- 218.023496 142.8
[M]+ 197.04828142 135.5
[M]- 197.04937858 135.5
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