CID 42553006

870244-34-1

Structural Information

Molecular Formula
C6H2Br2N2
SMILES
C1=C(C(=C(C=N1)Br)C#N)Br
InChI
InChI=1S/C6H2Br2N2/c7-5-2-10-3-6(8)4(5)1-9/h2-3H
InChIKey
FHVATNRRDOWTPX-UHFFFAOYSA-N
Compound name
3,5-dibromopyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

259.85846 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.86574 117.7
[M+Na]+ 282.84768 131.6
[M-H]- 258.85118 121.1
[M+NH4]+ 277.89228 135.3
[M+K]+ 298.82162 116.3
[M+H-H2O]+ 242.85572 119.5
[M+HCOO]- 304.85666 135.4
[M+CH3COO]- 318.87231 207.1
[M+Na-2H]- 280.83313 127.0
[M]+ 259.85791 144.4
[M]- 259.85901 144.4
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