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]+ 184.060436 134.2
[M+Na]+ 206.042378 141.5
[M-H]- 182.045884 135.8
[M+NH4]+ 201.086983 152.1
[M+K]+ 222.016318 135.8
[M+H-H2O]+ 166.050420 133.7
[M+HCOO]- 228.051361 156.8
[M+CH3COO]- 242.067011 171.2
[M+Na-2H]- 204.027826 140.4
[M]+ 183.05261142 131.9
[M]- 183.05370858 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.