CID 21536679

4-bromo-3,5-diethyl-1h-pyrazole

Structural Information

Molecular Formula
C7H11BrN2
SMILES
CCC1=C(C(=NN1)CC)Br
InChI
InChI=1S/C7H11BrN2/c1-3-5-7(8)6(4-2)10-9-5/h3-4H2,1-2H3,(H,9,10)
InChIKey
OTSLGRMIYOSZPY-UHFFFAOYSA-N
Compound name
4-bromo-3,5-diethyl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

202.01056 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.017836 136.4
[M+Na]+ 224.999778 149.5
[M-H]- 201.003284 139.4
[M+NH4]+ 220.044383 158.3
[M+K]+ 240.973718 138.2
[M+H-H2O]+ 185.007820 136.2
[M+HCOO]- 247.008761 156.1
[M+CH3COO]- 261.024411 181.1
[M+Na-2H]- 222.985226 142.5
[M]+ 202.01001142 154.8
[M]- 202.01110858 154.8
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