CID 18787093

2-bromo-1-ethoxy-4-nitrobenzene

Structural Information

Molecular Formula
C8H8BrNO3
SMILES
CCOC1=C(C=C(C=C1)[N+](=O)[O-])Br
InChI
InChI=1S/C8H8BrNO3/c1-2-13-8-4-3-6(10(11)12)5-7(8)9/h3-5H,2H2,1H3
InChIKey
DAJMJBJIPXARBJ-UHFFFAOYSA-N
Compound name
2-bromo-1-ethoxy-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

244.96877 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.97605 144.0
[M+Na]+ 267.95799 155.4
[M-H]- 243.96149 150.7
[M+NH4]+ 263.00259 164.5
[M+K]+ 283.93193 141.5
[M+H-H2O]+ 227.96603 147.9
[M+HCOO]- 289.96697 167.5
[M+CH3COO]- 303.98262 184.4
[M+Na-2H]- 265.94344 152.7
[M]+ 244.96822 163.7
[M]- 244.96932 163.7
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