CID 2758984

70978-39-1

Structural Information

Molecular Formula
C8H6FNO4
SMILES
CC(=O)C1=C(C(=CC(=C1)F)[N+](=O)[O-])O
InChI
InChI=1S/C8H6FNO4/c1-4(11)6-2-5(9)3-7(8(6)12)10(13)14/h2-3,12H,1H3
InChIKey
YVTPUCHIOSGVSH-UHFFFAOYSA-N
Compound name
1-(5-fluoro-2-hydroxy-3-nitrophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

199.02809 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.03537 135.3
[M+Na]+ 222.01731 147.3
[M+NH4]+ 217.06191 141.7
[M+K]+ 237.99125 145.8
[M-H]- 198.02081 135.7
[M+Na-2H]- 220.00276 139.8
[M]+ 199.02754 136.7
[M]- 199.02864 136.7
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