CID 46398143

2-bromo-6-isocyanopyridine

Structural Information

Molecular Formula
C6H3BrN2
SMILES
[C-]#[N+]C1=NC(=CC=C1)Br
InChI
InChI=1S/C6H3BrN2/c1-8-6-4-2-3-5(7)9-6/h2-4H
InChIKey
IVQGDEWHHLWZGB-UHFFFAOYSA-N
Compound name
2-bromo-6-isocyanopyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

181.94797 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.955246 129.7
[M+Na]+ 204.937188 143.6
[M-H]- 180.940694 132.1
[M+NH4]+ 199.981793 148.9
[M+K]+ 220.911128 128.2
[M+H-H2O]+ 164.945230 127.2
[M+HCOO]- 226.946171 149.3
[M+CH3COO]- 240.961821 182.5
[M+Na-2H]- 202.922636 139.7
[M]+ 181.94742142 138.8
[M]- 181.94851858 138.8
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