CID 72207283

5-chloro-3-nitropyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C6H3ClN4O2
SMILES
C1=CN2C(=C(C=N2)[N+](=O)[O-])N=C1Cl
InChI
InChI=1S/C6H3ClN4O2/c7-5-1-2-10-6(9-5)4(3-8-10)11(12)13/h1-3H
InChIKey
VYEUPRYCLWAOMU-UHFFFAOYSA-N
Compound name
5-chloro-3-nitropyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

197.99445 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.001726 133.7
[M+Na]+ 220.983668 145.3
[M-H]- 196.987174 135.2
[M+NH4]+ 216.028273 152.0
[M+K]+ 236.957608 137.8
[M+H-H2O]+ 180.991710 131.2
[M+HCOO]- 242.992651 153.7
[M+CH3COO]- 257.008301 175.3
[M+Na-2H]- 218.969116 144.6
[M]+ 197.99390142 136.1
[M]- 197.99499858 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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