CID 62128744

4-(4-bromo-3,5-dimethyl-1h-pyrazol-1-yl)-6-chloropyrimidine

Structural Information

Molecular Formula
C9H8BrClN4
SMILES
CC1=C(C(=NN1C2=CC(=NC=N2)Cl)C)Br
InChI
InChI=1S/C9H8BrClN4/c1-5-9(10)6(2)15(14-5)8-3-7(11)12-4-13-8/h3-4H,1-2H3
InChIKey
LORLLPBLXAZPMG-UHFFFAOYSA-N
Compound name
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

285.9621 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.96938 148.4
[M+Na]+ 308.95132 164.6
[M-H]- 284.95482 153.7
[M+NH4]+ 303.99592 166.2
[M+K]+ 324.92526 151.5
[M+H-H2O]+ 268.95936 146.7
[M+HCOO]- 330.96030 163.2
[M+CH3COO]- 344.97595 163.4
[M+Na-2H]- 306.93677 154.4
[M]+ 285.96155 170.3
[M]- 285.96265 170.3
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