CID 826291

3-bromo-1-nitronaphthalene

Structural Information

Molecular Formula
C10H6BrNO2
SMILES
C1=CC=C2C(=C1)C=C(C=C2[N+](=O)[O-])Br
InChI
InChI=1S/C10H6BrNO2/c11-8-5-7-3-1-2-4-9(7)10(6-8)12(13)14/h1-6H
InChIKey
SYUKHFBRPMIOTK-UHFFFAOYSA-N
Compound name
3-bromo-1-nitronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

250.95819 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.965466 145.6
[M+Na]+ 273.947408 157.1
[M-H]- 249.950914 153.1
[M+NH4]+ 268.992013 166.7
[M+K]+ 289.921348 142.3
[M+H-H2O]+ 233.955450 149.7
[M+HCOO]- 295.956391 168.1
[M+CH3COO]- 309.972041 185.8
[M+Na-2H]- 271.932856 156.2
[M]+ 250.95764142 163.6
[M]- 250.95873858 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