CID 66521455

4-bromo-1-cyclobutylpyrazole

Structural Information

Molecular Formula
C7H9BrN2
SMILES
C1CC(C1)N2C=C(C=N2)Br
InChI
InChI=1S/C7H9BrN2/c8-6-4-9-10(5-6)7-2-1-3-7/h4-5,7H,1-3H2
InChIKey
WILOMGXFNRGZMJ-UHFFFAOYSA-N
Compound name
4-bromo-1-cyclobutylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

199.9949 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.002176 124.4
[M+Na]+ 222.984118 135.4
[M-H]- 198.987624 131.2
[M+NH4]+ 218.028723 140.6
[M+K]+ 238.958058 128.5
[M+H-H2O]+ 182.992160 119.6
[M+HCOO]- 244.993101 144.3
[M+CH3COO]- 259.008751 184.1
[M+Na-2H]- 220.969566 132.1
[M]+ 199.99435142 149.3
[M]- 199.99544858 149.3
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