CID 642214

1-(2-chloroethyl)-1h-pyrazole

Structural Information

Molecular Formula
C5H7ClN2
SMILES
C1=CN(N=C1)CCCl
InChI
InChI=1S/C5H7ClN2/c6-2-5-8-4-1-3-7-8/h1,3-4H,2,5H2
InChIKey
HUZHIOQELFFZBM-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

171
Patents

130.02977 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.03705 122.3
[M+Na]+ 153.01899 135.4
[M+NH4]+ 148.06359 131.4
[M+K]+ 168.99293 130.1
[M-H]- 129.02249 123.1
[M+Na-2H]- 151.00444 129.4
[M]+ 130.02922 124.6
[M]- 130.03032 124.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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