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

20
Patents

202.01056 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.01784 136.4
[M+Na]+ 224.99978 149.5
[M-H]- 201.00328 139.4
[M+NH4]+ 220.04438 158.3
[M+K]+ 240.97372 138.2
[M+H-H2O]+ 185.00782 136.2
[M+HCOO]- 247.00876 156.1
[M+CH3COO]- 261.02441 181.1
[M+Na-2H]- 222.98523 142.5
[M]+ 202.01001 154.8
[M]- 202.01111 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