CID 6426710

3-chloro-1h-pyrazole

Structural Information

Molecular Formula
C3H3ClN2
SMILES
C1=C(NN=C1)Cl
InChI
InChI=1S/C3H3ClN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)
InChIKey
IJPFBRONCJOTTA-UHFFFAOYSA-N
Compound name
5-chloro-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2307
Patents

101.998474 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.00575 114.1
[M+Na]+ 124.98769 124.2
[M-H]- 100.99120 113.7
[M+NH4]+ 120.03230 136.3
[M+K]+ 140.96163 121.2
[M+H-H2O]+ 84.995734 108.4
[M+HCOO]- 146.99668 132.4
[M+CH3COO]- 161.01232 160.1
[M+Na-2H]- 122.97314 122.0
[M]+ 101.99793 113.2
[M]- 101.99902 113.2
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.