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

16
Patents

211.04807 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05535 141.2
[M+Na]+ 234.03729 147.4
[M-H]- 210.04079 143.7
[M+NH4]+ 229.08189 158.1
[M+K]+ 250.01123 142.8
[M+H-H2O]+ 194.04533 139.9
[M+HCOO]- 256.04627 164.3
[M+CH3COO]- 270.06192 177.0
[M+Na-2H]- 232.02274 146.8
[M]+ 211.04752 140.6
[M]- 211.04862 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