CID 124682

2'-(4-nitrophenoxy)oxirane

Structural Information

Molecular Formula
C8H7NO4
SMILES
C1C(O1)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C8H7NO4/c10-9(11)6-1-3-7(4-2-6)13-8-5-12-8/h1-4,8H,5H2
InChIKey
LCDJFVGAKJGCGB-UHFFFAOYSA-N
Compound name
2-(4-nitrophenoxy)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

181.0375 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.04478 129.6
[M+Na]+ 204.02672 139.0
[M-H]- 180.03022 138.4
[M+NH4]+ 199.07132 142.8
[M+K]+ 220.00066 134.5
[M+H-H2O]+ 164.03476 127.5
[M+HCOO]- 226.03570 155.5
[M+CH3COO]- 240.05135 177.2
[M+Na-2H]- 202.01217 140.2
[M]+ 181.03695 132.9
[M]- 181.03805 132.9
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