CID 130565209

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

Structural Information

Molecular Formula
C9H7BrClN3
SMILES
C1CC1C2=NC3=C(C=NN3C(=C2)Cl)Br
InChI
InChI=1S/C9H7BrClN3/c10-6-4-12-14-8(11)3-7(5-1-2-5)13-9(6)14/h3-5H,1-2H2
InChIKey
XEZRIERNFQQMFT-UHFFFAOYSA-N
Compound name
3-bromo-7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.9512 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.95848 153.2
[M+Na]+ 293.94042 171.1
[M-H]- 269.94392 160.7
[M+NH4]+ 288.98502 169.1
[M+K]+ 309.91436 156.9
[M+H-H2O]+ 253.94846 152.0
[M+HCOO]- 315.94940 169.6
[M+CH3COO]- 329.96505 168.1
[M+Na-2H]- 291.92587 160.5
[M]+ 270.95065 176.5
[M]- 270.95175 176.5
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

No patent data available for this compound.