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]+ 200.071746 137.5
[M+Na]+ 222.053688 145.7
[M-H]- 198.057194 139.3
[M+NH4]+ 217.098293 155.8
[M+K]+ 238.027628 139.7
[M+H-H2O]+ 182.061730 136.5
[M+HCOO]- 244.062671 159.5
[M+CH3COO]- 258.078321 177.0
[M+Na-2H]- 220.039136 145.4
[M]+ 199.06392142 135.1
[M]- 199.06501858 135.1
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.