CID 12565201

4-bromo-1-ethyl-1h-pyrazole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

288
Patents

173.97926 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.98654 126.4
[M+Na]+ 196.96848 139.9
[M-H]- 172.97198 130.8
[M+NH4]+ 192.01308 149.9
[M+K]+ 212.94242 130.2
[M+H-H2O]+ 156.97652 126.3
[M+HCOO]- 218.97746 148.2
[M+CH3COO]- 232.99311 177.0
[M+Na-2H]- 194.95393 134.9
[M]+ 173.97871 145.7
[M]- 173.97981 145.7
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

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