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

59
Patents

199.9949 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00218 124.4
[M+Na]+ 222.98412 135.4
[M-H]- 198.98762 131.2
[M+NH4]+ 218.02872 140.6
[M+K]+ 238.95806 128.5
[M+H-H2O]+ 182.99216 119.6
[M+HCOO]- 244.99310 144.3
[M+CH3COO]- 259.00875 184.1
[M+Na-2H]- 220.96957 132.1
[M]+ 199.99435 149.3
[M]- 199.99545 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