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

49
Patents

173.97926 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.986536 126.4
[M+Na]+ 196.968478 139.9
[M-H]- 172.971984 130.8
[M+NH4]+ 192.013083 149.9
[M+K]+ 212.942418 130.2
[M+H-H2O]+ 156.976520 126.3
[M+HCOO]- 218.977461 148.2
[M+CH3COO]- 232.993111 177.0
[M+Na-2H]- 194.953926 134.9
[M]+ 173.97871142 145.7
[M]- 173.97980858 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

patents stripe