CID 130872097

2-(4-fluoro-3-nitrophenyl)propan-2-ol

Structural Information

Molecular Formula
C9H10FNO3
SMILES
CC(C)(C1=CC(=C(C=C1)F)[N+](=O)[O-])O
InChI
InChI=1S/C9H10FNO3/c1-9(2,12)6-3-4-7(10)8(5-6)11(13)14/h3-5,12H,1-2H3
InChIKey
JRATVYBIWIIGSU-UHFFFAOYSA-N
Compound name
2-(4-fluoro-3-nitrophenyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.06447 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07175 136.7
[M+Na]+ 222.05369 148.7
[M+NH4]+ 217.09829 143.8
[M+K]+ 238.02763 146.8
[M-H]- 198.05719 137.5
[M+Na-2H]- 220.03914 142.1
[M]+ 199.06392 138.5
[M]- 199.06502 138.5
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

No patent data available for this compound.