CID 129453075

4-(4-bromophenyl)-2,6-dichloropyrimidine-5-carbonitrile

Structural Information

Molecular Formula
C11H4BrCl2N3
SMILES
C1=CC(=CC=C1C2=C(C(=NC(=N2)Cl)Cl)C#N)Br
InChI
InChI=1S/C11H4BrCl2N3/c12-7-3-1-6(2-4-7)9-8(5-15)10(13)17-11(14)16-9/h1-4H
InChIKey
OUNJAYRBQPYFDW-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-2,6-dichloropyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.89658 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.90386 152.3
[M+Na]+ 349.88580 169.4
[M-H]- 325.88930 156.1
[M+NH4]+ 344.93040 167.5
[M+K]+ 365.85974 153.9
[M+H-H2O]+ 309.89384 144.8
[M+HCOO]- 371.89478 162.7
[M+CH3COO]- 385.91043 164.8
[M+Na-2H]- 347.87125 158.6
[M]+ 326.89603 166.8
[M]- 326.89713 166.8
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.