CID 86672158

2-(2-fluoro-4-nitrophenyl)ethanol

Structural Information

Molecular Formula
C8H8FNO3
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])F)CCO
InChI
InChI=1S/C8H8FNO3/c9-8-5-7(10(12)13)2-1-6(8)3-4-11/h1-2,5,11H,3-4H2
InChIKey
MVVPCXHRMBDTBV-UHFFFAOYSA-N
Compound name
2-(2-fluoro-4-nitrophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

185.04883 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05611 132.8
[M+Na]+ 208.03805 145.3
[M+NH4]+ 203.08265 140.3
[M+K]+ 224.01199 142.4
[M-H]- 184.04155 134.2
[M+Na-2H]- 206.02350 138.5
[M]+ 185.04828 134.7
[M]- 185.04938 134.7
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