CID 58196401

5-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde

Structural Information

Molecular Formula
C7H4ClN3O
SMILES
C1=CN2C(=C(C=N2)C=O)N=C1Cl
InChI
InChI=1S/C7H4ClN3O/c8-6-1-2-11-7(10-6)5(4-12)3-9-11/h1-4H
InChIKey
NYWPUMGVBDABLA-UHFFFAOYSA-N
Compound name
5-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

181.00429 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.011566 131.5
[M+Na]+ 203.993508 145.0
[M-H]- 179.997014 132.8
[M+NH4]+ 199.038113 151.5
[M+K]+ 219.967448 140.5
[M+H-H2O]+ 164.001550 124.3
[M+HCOO]- 226.002491 150.4
[M+CH3COO]- 240.018141 146.1
[M+Na-2H]- 201.978956 140.1
[M]+ 181.00374142 136.4
[M]- 181.00483858 136.4
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