CID 13590371

2-(3-bromophenyl)-4-chloropyrimidine

Structural Information

Molecular Formula
C10H6BrClN2
SMILES
C1=CC(=CC(=C1)Br)C2=NC=CC(=N2)Cl
InChI
InChI=1S/C10H6BrClN2/c11-8-3-1-2-7(6-8)10-13-5-4-9(12)14-10/h1-6H
InChIKey
RFECNFBDJQGRBS-UHFFFAOYSA-N
Compound name
2-(3-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]+ 268.947556 143.4
[M+Na]+ 290.929498 157.4
[M-H]- 266.933004 150.3
[M+NH4]+ 285.974103 162.1
[M+K]+ 306.903438 144.1
[M+H-H2O]+ 250.937540 142.7
[M+HCOO]- 312.938481 159.7
[M+CH3COO]- 326.954131 158.6
[M+Na-2H]- 288.914946 153.0
[M]+ 267.93973142 163.5
[M]- 267.94082858 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

No literature data available for this compound.

Patent stripe

patents stripe