CID 12565200

4-bromo-3-ethyl-1h-pyrazole

Structural Information

Molecular Formula
C5H7BrN2
SMILES
CCC1=C(C=NN1)Br
InChI
InChI=1S/C5H7BrN2/c1-2-5-4(6)3-7-8-5/h3H,2H2,1H3,(H,7,8)
InChIKey
QJIWUPJCGOTRMI-UHFFFAOYSA-N
Compound name
4-bromo-5-ethyl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

173.97926 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.986536 127.7
[M+Na]+ 196.968478 140.7
[M-H]- 172.971984 130.6
[M+NH4]+ 192.013083 150.4
[M+K]+ 212.942418 130.0
[M+H-H2O]+ 156.976520 127.6
[M+HCOO]- 218.977461 148.0
[M+CH3COO]- 232.993111 174.4
[M+Na-2H]- 194.953926 135.5
[M]+ 173.97871142 145.1
[M]- 173.97980858 145.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe