CID 178344148

5-(bromomethyl)-6-chloronicotinonitrile

Structural Information

Molecular Formula
C7H4BrClN2
SMILES
C1=C(C=NC(=C1CBr)Cl)C#N
InChI
InChI=1S/C7H4BrClN2/c8-2-6-1-5(3-10)4-11-7(6)9/h1,4H,2H2
InChIKey
UMBWYZXPQRSABZ-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-6-chloropyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.92464 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.931916 131.3
[M+Na]+ 252.913858 147.1
[M-H]- 228.917364 134.9
[M+NH4]+ 247.958463 150.8
[M+K]+ 268.887798 134.1
[M+H-H2O]+ 212.921900 125.2
[M+HCOO]- 274.922841 147.6
[M+CH3COO]- 288.938491 197.1
[M+Na-2H]- 250.899306 139.6
[M]+ 229.92409142 145.1
[M]- 229.92518858 145.1
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

No patent data available for this compound.