CID 137935584

3-bromo-5-(chloromethyl)pyrazolo[1,5-a]pyrimidin-7-ol

Structural Information

Molecular Formula
C7H5BrClN3O
SMILES
C1=C(N=C2C(=CNN2C1=O)Br)CCl
InChI
InChI=1S/C7H5BrClN3O/c8-5-3-10-12-6(13)1-4(2-9)11-7(5)12/h1,3,10H,2H2
InChIKey
LVDAZHWWBBNQRW-UHFFFAOYSA-N
Compound name
3-bromo-5-(chloromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.93045 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.93773 139.9
[M+Na]+ 283.91967 156.9
[M-H]- 259.92317 143.2
[M+NH4]+ 278.96427 160.3
[M+K]+ 299.89361 143.2
[M+H-H2O]+ 243.92771 140.0
[M+HCOO]- 305.92865 155.5
[M+CH3COO]- 319.94430 155.5
[M+Na-2H]- 281.90512 148.7
[M]+ 260.92990 161.9
[M]- 260.93100 161.9
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.