CID 114692401

3,5-dibromo-1-(cyclopropylmethyl)-1h-pyrazole

Structural Information

Molecular Formula
C7H8Br2N2
SMILES
C1CC1CN2C(=CC(=N2)Br)Br
InChI
InChI=1S/C7H8Br2N2/c8-6-3-7(9)11(10-6)4-5-1-2-5/h3,5H,1-2,4H2
InChIKey
CJIDRUSNGLABNZ-UHFFFAOYSA-N
Compound name
3,5-dibromo-1-(cyclopropylmethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.90543 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.912706 143.9
[M+Na]+ 300.894648 158.1
[M-H]- 276.898154 152.2
[M+NH4]+ 295.939253 159.9
[M+K]+ 316.868588 142.3
[M+H-H2O]+ 260.902690 151.0
[M+HCOO]- 322.903631 160.4
[M+CH3COO]- 336.919281 158.2
[M+Na-2H]- 298.880096 150.2
[M]+ 277.90488142 178.4
[M]- 277.90597858 178.4
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

No patent data available for this compound.