CID 16109449

4-bromo-2-nitro-1-phenoxybenzene

Structural Information

Molecular Formula
C12H8BrNO3
SMILES
C1=CC=C(C=C1)OC2=C(C=C(C=C2)Br)[N+](=O)[O-]
InChI
InChI=1S/C12H8BrNO3/c13-9-6-7-12(11(8-9)14(15)16)17-10-4-2-1-3-5-10/h1-8H
InChIKey
CPEIRSYGYOEBET-UHFFFAOYSA-N
Compound name
4-bromo-2-nitro-1-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

292.96875 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.976026 156.6
[M+Na]+ 315.957968 166.8
[M-H]- 291.961474 165.9
[M+NH4]+ 311.002573 174.7
[M+K]+ 331.931908 152.2
[M+H-H2O]+ 275.966010 159.4
[M+HCOO]- 337.966951 180.0
[M+CH3COO]- 351.982601 191.7
[M+Na-2H]- 313.943416 165.5
[M]+ 292.96820142 175.2
[M]- 292.96929858 175.2
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

patents stripe