CID 242757

1-[(4-bromophenoxy)methyl]-4-nitrobenzene

Structural Information

Molecular Formula
C13H10BrNO3
SMILES
C1=CC(=CC=C1COC2=CC=C(C=C2)Br)[N+](=O)[O-]
InChI
InChI=1S/C13H10BrNO3/c14-11-3-7-13(8-4-11)18-9-10-1-5-12(6-2-10)15(16)17/h1-8H,9H2
InChIKey
DNUWJQWWGBYZDF-UHFFFAOYSA-N
Compound name
1-[(4-bromophenoxy)methyl]-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

306.9844 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.99168 161.4
[M+Na]+ 329.97362 171.2
[M-H]- 305.97712 170.6
[M+NH4]+ 325.01822 179.0
[M+K]+ 345.94756 156.4
[M+H-H2O]+ 289.98166 164.0
[M+HCOO]- 351.98260 184.5
[M+CH3COO]- 365.99825 194.6
[M+Na-2H]- 327.95907 169.8
[M]+ 306.98385 180.4
[M]- 306.98495 180.4
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