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

27
Patents

292.96875 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.97603 156.6
[M+Na]+ 315.95797 166.8
[M-H]- 291.96147 165.9
[M+NH4]+ 311.00257 174.7
[M+K]+ 331.93191 152.2
[M+H-H2O]+ 275.96601 159.4
[M+HCOO]- 337.96695 180.0
[M+CH3COO]- 351.98260 191.7
[M+Na-2H]- 313.94342 165.5
[M]+ 292.96820 175.2
[M]- 292.96930 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