CID 4587144

1-bromo-4-nitronaphthalene

Structural Information

Molecular Formula
C10H6BrNO2
SMILES
C1=CC=C2C(=C1)C(=CC=C2Br)[N+](=O)[O-]
InChI
InChI=1S/C10H6BrNO2/c11-9-5-6-10(12(13)14)8-4-2-1-3-7(8)9/h1-6H
InChIKey
OUENKLKXUFZIPK-UHFFFAOYSA-N
Compound name
1-bromo-4-nitronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

250.95819 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.96547 145.6
[M+Na]+ 273.94741 157.1
[M-H]- 249.95091 153.1
[M+NH4]+ 268.99201 166.7
[M+K]+ 289.92135 142.3
[M+H-H2O]+ 233.95545 149.7
[M+HCOO]- 295.95639 168.1
[M+CH3COO]- 309.97204 185.8
[M+Na-2H]- 271.93286 156.2
[M]+ 250.95764 163.6
[M]- 250.95874 163.6
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