CID 21327

1,2-epoxy-3-(4-nitrophenoxy)propane

Structural Information

Molecular Formula
C9H9NO4
SMILES
C1C(O1)COC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H9NO4/c11-10(12)7-1-3-8(4-2-7)13-5-9-6-14-9/h1-4,9H,5-6H2
InChIKey
FPIGOBKNDYAZTP-UHFFFAOYSA-N
Compound name
2-[(4-nitrophenoxy)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

67
References

752
Patents

195.05316 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 134.2
[M+Na]+ 218.04238 143.1
[M-H]- 194.04588 142.7
[M+NH4]+ 213.08698 146.8
[M+K]+ 234.01632 138.4
[M+H-H2O]+ 178.05042 131.8
[M+HCOO]- 240.05136 159.7
[M+CH3COO]- 254.06701 180.1
[M+Na-2H]- 216.02783 144.2
[M]+ 195.05261 137.8
[M]- 195.05371 137.8
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