CID 14662111

4-bromo-1-naphthonitrile

Structural Information

Molecular Formula
C11H6BrN
SMILES
C1=CC=C2C(=C1)C(=CC=C2Br)C#N
InChI
InChI=1S/C11H6BrN/c12-11-6-5-8(7-13)9-3-1-2-4-10(9)11/h1-6H
InChIKey
ITKIWUNXKKMMSE-UHFFFAOYSA-N
Compound name
4-bromonaphthalene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

192
Patents

230.96835 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.97563 141.7
[M+Na]+ 253.95757 156.8
[M-H]- 229.96107 147.2
[M+NH4]+ 249.00217 162.3
[M+K]+ 269.93151 143.2
[M+H-H2O]+ 213.96561 135.6
[M+HCOO]- 275.96655 161.8
[M+CH3COO]- 289.98220 155.8
[M+Na-2H]- 251.94302 150.5
[M]+ 230.96780 153.7
[M]- 230.96890 153.7
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