CID 13157538

2-(4-bromophenyl)-4-chloropyrimidine

Structural Information

Molecular Formula
C10H6BrClN2
SMILES
C1=CC(=CC=C1C2=NC=CC(=N2)Cl)Br
InChI
InChI=1S/C10H6BrClN2/c11-8-3-1-7(2-4-8)10-13-6-5-9(12)14-10/h1-6H
InChIKey
KBRDFIXSEIZKQG-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-4-chloropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

267.94028 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.94756 143.4
[M+Na]+ 290.92950 157.4
[M-H]- 266.93300 150.3
[M+NH4]+ 285.97410 162.1
[M+K]+ 306.90344 144.1
[M+H-H2O]+ 250.93754 142.7
[M+HCOO]- 312.93848 159.7
[M+CH3COO]- 326.95413 158.6
[M+Na-2H]- 288.91495 153.0
[M]+ 267.93973 163.5
[M]- 267.94083 163.5
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

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