CID 10704609

7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C12H8ClN3
SMILES
C1=CC=C(C=C1)C2=NC3=CC=NN3C(=C2)Cl
InChI
InChI=1S/C12H8ClN3/c13-11-8-10(9-4-2-1-3-5-9)15-12-6-7-14-16(11)12/h1-8H
InChIKey
UWQMTCYMAVNCQY-UHFFFAOYSA-N
Compound name
7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

229.04068 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.04796 146.7
[M+Na]+ 252.02990 159.3
[M-H]- 228.03340 150.9
[M+NH4]+ 247.07450 164.4
[M+K]+ 268.00384 152.8
[M+H-H2O]+ 212.03794 137.8
[M+HCOO]- 274.03888 164.9
[M+CH3COO]- 288.05453 160.2
[M+Na-2H]- 250.01535 154.9
[M]+ 229.04013 150.3
[M]- 229.04123 150.3
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