CID 17760168

Methyl 2-hydroxy-2-(4-nitrophenyl)acetate

Structural Information

Molecular Formula
C9H9NO5
SMILES
COC(=O)C(C1=CC=C(C=C1)[N+](=O)[O-])O
InChI
InChI=1S/C9H9NO5/c1-15-9(12)8(11)6-2-4-7(5-3-6)10(13)14/h2-5,8,11H,1H3
InChIKey
DBINCHWBEBHLEN-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-2-(4-nitrophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

211.04807 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.055346 141.2
[M+Na]+ 234.037288 147.4
[M-H]- 210.040794 143.7
[M+NH4]+ 229.081893 158.1
[M+K]+ 250.011228 142.8
[M+H-H2O]+ 194.045330 139.9
[M+HCOO]- 256.046271 164.3
[M+CH3COO]- 270.061921 177.0
[M+Na-2H]- 232.022736 146.8
[M]+ 211.04752142 140.6
[M]- 211.04861858 140.6
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

patents stripe