CID 52142099

4-bromo-1-cyclopropyl-1h-pyrazole

Structural Information

Molecular Formula
C6H7BrN2
SMILES
C1CC1N2C=C(C=N2)Br
InChI
InChI=1S/C6H7BrN2/c7-5-3-8-9(4-5)6-1-2-6/h3-4,6H,1-2H2
InChIKey
PCWRBBLXAOCSQC-UHFFFAOYSA-N
Compound name
4-bromo-1-cyclopropylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
Patents

185.97926 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.98654 129.7
[M+Na]+ 208.96848 134.5
[M+NH4]+ 204.01308 135.6
[M+K]+ 224.94242 137.0
[M-H]- 184.97198 136.2
[M+Na-2H]- 206.95393 136.3
[M]+ 185.97871 132.0
[M]- 185.97981 132.0
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