CID 16740619

147426-93-5

Structural Information

Molecular Formula
C12H6BrClN2
SMILES
C1=CC(=CC(=C1)Br)C2=NC(=C(C=C2)C#N)Cl
InChI
InChI=1S/C12H6BrClN2/c13-10-3-1-2-8(6-10)11-5-4-9(7-15)12(14)16-11/h1-6H
InChIKey
CHFUVURLZCRTRV-UHFFFAOYSA-N
Compound name
6-(3-bromophenyl)-2-chloropyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.94028 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.94756 151.3
[M+Na]+ 314.92950 167.2
[M-H]- 290.93300 156.9
[M+NH4]+ 309.97410 168.3
[M+K]+ 330.90344 152.3
[M+H-H2O]+ 274.93754 144.1
[M+HCOO]- 336.93848 167.1
[M+CH3COO]- 350.95413 164.5
[M+Na-2H]- 312.91495 158.1
[M]+ 291.93973 164.8
[M]- 291.94083 164.8
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.