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

20
Patents

130.02977 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.037046 122.3
[M+Na]+ 153.018988 133.0
[M-H]- 129.022494 123.4
[M+NH4]+ 148.063593 144.6
[M+K]+ 168.992928 130.4
[M+H-H2O]+ 113.027030 116.3
[M+HCOO]- 175.027971 141.5
[M+CH3COO]- 189.043621 169.9
[M+Na-2H]- 151.004436 129.0
[M]+ 130.02922142 124.4
[M]- 130.03031858 124.4
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

patents stripe