CID 3019838

84304-18-7

Structural Information

Molecular Formula
C13H10BrNO4
SMILES
COC1=C(C=C(C=C1)Br)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H10BrNO4/c1-18-12-7-2-9(14)8-13(12)19-11-5-3-10(4-6-11)15(16)17/h2-8H,1H3
InChIKey
INITWIZQTGTCFY-UHFFFAOYSA-N
Compound name
4-bromo-1-methoxy-2-(4-nitrophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.9793 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.986576 163.7
[M+Na]+ 345.968518 174.1
[M-H]- 321.972024 173.1
[M+NH4]+ 341.013123 180.7
[M+K]+ 361.942458 159.8
[M+H-H2O]+ 305.976560 166.1
[M+HCOO]- 367.977501 186.9
[M+CH3COO]- 381.993151 197.5
[M+Na-2H]- 343.953966 171.6
[M]+ 322.97875142 184.2
[M]- 322.97984858 184.2
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

No patent data available for this compound.