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 137.5
[M+Na]+ 222.05369 145.7
[M-H]- 198.05719 139.3
[M+NH4]+ 217.09829 155.8
[M+K]+ 238.02763 139.7
[M+H-H2O]+ 182.06173 136.5
[M+HCOO]- 244.06267 159.5
[M+CH3COO]- 258.07832 177.0
[M+Na-2H]- 220.03914 145.4
[M]+ 199.06392 135.1
[M]- 199.06502 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.