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 134.2
[M+Na]+ 206.04238 141.5
[M-H]- 182.04588 135.8
[M+NH4]+ 201.08698 152.1
[M+K]+ 222.01632 135.8
[M+H-H2O]+ 166.05042 133.7
[M+HCOO]- 228.05136 156.8
[M+CH3COO]- 242.06701 171.2
[M+Na-2H]- 204.02783 140.4
[M]+ 183.05261 131.9
[M]- 183.05371 131.9
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.