CID 83231495

5-chloro-1-ethyl-1h-pyrazole

Structural Information

Molecular Formula
C5H7ClN2
SMILES
CCN1C(=CC=N1)Cl
InChI
InChI=1S/C5H7ClN2/c1-2-8-5(6)3-4-7-8/h3-4H,2H2,1H3
InChIKey
ZFMLFYNXDPFJAK-UHFFFAOYSA-N
Compound name
5-chloro-1-ethylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

130.02977 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.03705 122.0
[M+Na]+ 153.01899 135.4
[M+NH4]+ 148.06359 131.1
[M+K]+ 168.99293 130.4
[M-H]- 129.02249 122.9
[M+Na-2H]- 151.00444 128.9
[M]+ 130.02922 124.4
[M]- 130.03032 124.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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