CID 170275

2-ethoxy-4-nitrophenol

Structural Information

Molecular Formula
C8H9NO4
SMILES
CCOC1=C(C=CC(=C1)[N+](=O)[O-])O
InChI
InChI=1S/C8H9NO4/c1-2-13-8-5-6(9(11)12)3-4-7(8)10/h3-5,10H,2H2,1H3
InChIKey
GIHYKBDWFSOKNN-UHFFFAOYSA-N
Compound name
2-ethoxy-4-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

183.05316 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06044 134.5
[M+Na]+ 206.04238 142.5
[M-H]- 182.04588 137.5
[M+NH4]+ 201.08698 153.3
[M+K]+ 222.01632 137.2
[M+H-H2O]+ 166.05042 133.7
[M+HCOO]- 228.05136 159.6
[M+CH3COO]- 242.06701 173.1
[M+Na-2H]- 204.02783 142.4
[M]+ 183.05261 134.7
[M]- 183.05371 134.7
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