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

20
Patents

197.04883 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.05611 136.9
[M+Na]+ 220.03805 145.1
[M-H]- 196.04155 139.8
[M+NH4]+ 215.08265 155.7
[M+K]+ 236.01199 139.5
[M+H-H2O]+ 180.04609 135.1
[M+HCOO]- 242.04703 161.1
[M+CH3COO]- 256.06268 179.4
[M+Na-2H]- 218.02350 142.8
[M]+ 197.04828 135.5
[M]- 197.04938 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