CID 2782163

175204-86-1

Structural Information

Molecular Formula
C5H4ClN3
SMILES
CN1C=C(C(=N1)C#N)Cl
InChI
InChI=1S/C5H4ClN3/c1-9-3-4(6)5(2-7)8-9/h3H,1H3
InChIKey
VCGBVTFJVGRBCJ-UHFFFAOYSA-N
Compound name
4-chloro-1-methylpyrazole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.00937 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.01665 122.7
[M+Na]+ 163.99859 135.5
[M-H]- 140.00209 123.5
[M+NH4]+ 159.04319 142.2
[M+K]+ 179.97253 132.2
[M+H-H2O]+ 124.00663 109.7
[M+HCOO]- 186.00757 138.5
[M+CH3COO]- 200.02322 185.3
[M+Na-2H]- 161.98404 128.4
[M]+ 141.00882 119.7
[M]- 141.00992 119.7
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

No patent data available for this compound.