CID 85381

2-(4-nitrophenoxy)ethanol

Structural Information

Molecular Formula
C8H9NO4
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OCCO
InChI
InChI=1S/C8H9NO4/c10-5-6-13-8-3-1-7(2-4-8)9(11)12/h1-4,10H,5-6H2
InChIKey
YAPAEYFBLRVUMH-UHFFFAOYSA-N
Compound name
2-(4-nitrophenoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

393
Patents

183.05316 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06044 135.1
[M+Na]+ 206.04238 142.1
[M-H]- 182.04588 137.7
[M+NH4]+ 201.08698 153.5
[M+K]+ 222.01632 136.8
[M+H-H2O]+ 166.05042 134.0
[M+HCOO]- 228.05136 160.2
[M+CH3COO]- 242.06701 172.0
[M+Na-2H]- 204.02783 143.6
[M]+ 183.05261 134.9
[M]- 183.05371 134.9
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