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 148.3
[M+Na]+ 283.91967 153.7
[M+NH4]+ 278.96427 152.5
[M+K]+ 299.89361 154.4
[M-H]- 259.92317 147.0
[M+Na-2H]- 281.90512 150.9
[M]+ 260.92990 147.7
[M]- 260.93100 147.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.