CID 21066428

3-bromo-7-chloro-5-ethylpyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C8H7BrClN3
SMILES
CCC1=NC2=C(C=NN2C(=C1)Cl)Br
InChI
InChI=1S/C8H7BrClN3/c1-2-5-3-7(10)13-8(12-5)6(9)4-11-13/h3-4H,2H2,1H3
InChIKey
NSVIAAZEZAAQFC-UHFFFAOYSA-N
Compound name
3-bromo-7-chloro-5-ethylpyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

258.9512 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.95848 142.1
[M+Na]+ 281.94042 159.1
[M-H]- 257.94392 146.5
[M+NH4]+ 276.98502 163.4
[M+K]+ 297.91436 146.2
[M+H-H2O]+ 241.94846 141.8
[M+HCOO]- 303.94940 158.4
[M+CH3COO]- 317.96505 158.1
[M+Na-2H]- 279.92587 150.8
[M]+ 258.95065 165.5
[M]- 258.95175 165.5
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