CID 52644196

5-bromo-1-ethyl-1h-pyrazole

Structural Information

Molecular Formula
C5H7BrN2
SMILES
CCN1C(=CC=N1)Br
InChI
InChI=1S/C5H7BrN2/c1-2-8-5(6)3-4-7-8/h3-4H,2H2,1H3
InChIKey
GHCZXPXCEJYMOF-UHFFFAOYSA-N
Compound name
5-bromo-1-ethylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

173.97926 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.98654 132.9
[M+Na]+ 196.96848 136.0
[M+NH4]+ 192.01308 137.8
[M+K]+ 212.94242 137.3
[M-H]- 172.97198 132.3
[M+Na-2H]- 194.95393 135.9
[M]+ 173.97871 131.9
[M]- 173.97981 131.9
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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