CID 15676975

4-methoxy-3-nitrophenyl acetate

Structural Information

Molecular Formula
C9H9NO5
SMILES
CC(=O)OC1=CC(=C(C=C1)OC)[N+](=O)[O-]
InChI
InChI=1S/C9H9NO5/c1-6(11)15-7-3-4-9(14-2)8(5-7)10(12)13/h3-5H,1-2H3
InChIKey
XUZGGGXQVSZPDD-UHFFFAOYSA-N
Compound name
(4-methoxy-3-nitrophenyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

211.04807 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05535 140.9
[M+Na]+ 234.03729 153.5
[M+NH4]+ 229.08189 147.8
[M+K]+ 250.01123 151.6
[M-H]- 210.04079 142.9
[M+Na-2H]- 232.02274 146.2
[M]+ 211.04752 143.0
[M]- 211.04862 143.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe