CID 53879169

1-bromonaphthalene-2-carboxamide

Structural Information

Molecular Formula
C11H8BrNO
SMILES
C1=CC=C2C(=C1)C=CC(=C2Br)C(=O)N
InChI
InChI=1S/C11H8BrNO/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6H,(H2,13,14)
InChIKey
HIODOJUCLUQTFR-UHFFFAOYSA-N
Compound name
1-bromonaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

248.97893 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.98621 145.8
[M+Na]+ 271.96815 157.4
[M-H]- 247.97165 152.7
[M+NH4]+ 267.01275 167.2
[M+K]+ 287.94209 145.6
[M+H-H2O]+ 231.97619 145.5
[M+HCOO]- 293.97713 166.7
[M+CH3COO]- 307.99278 193.1
[M+Na-2H]- 269.95360 153.4
[M]+ 248.97838 162.9
[M]- 248.97948 162.9
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