CID 14662116

20176-08-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
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

No literature data available for this compound.

Patent stripe

patents stripe