CID 92466485

4-[(1r)-1-hydroxyethyl]-2-nitrophenol

Structural Information

Molecular Formula
C8H9NO4
SMILES
C[C@H](C1=CC(=C(C=C1)O)[N+](=O)[O-])O
InChI
InChI=1S/C8H9NO4/c1-5(10)6-2-3-8(11)7(4-6)9(12)13/h2-5,10-11H,1H3/t5-/m1/s1
InChIKey
YFJFHPWXFUVRCD-RXMQYKEDSA-N
Compound name
4-[(1R)-1-hydroxyethyl]-2-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.05316 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06044 134.7
[M+Na]+ 206.04238 146.8
[M+NH4]+ 201.08698 141.9
[M+K]+ 222.01632 145.4
[M-H]- 182.04588 136.4
[M+Na-2H]- 204.02783 139.6
[M]+ 183.05261 136.6
[M]- 183.05371 136.6
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.