CID 130480562

4-bromo-5-(chloromethyl)-1-ethyl-1h-pyrazole

Structural Information

Molecular Formula
C6H8BrClN2
SMILES
CCN1C(=C(C=N1)Br)CCl
InChI
InChI=1S/C6H8BrClN2/c1-2-10-6(3-8)5(7)4-9-10/h4H,2-3H2,1H3
InChIKey
NXCZAKLLCMWGPI-UHFFFAOYSA-N
Compound name
4-bromo-5-(chloromethyl)-1-ethylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.95593 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.96321 135.9
[M+Na]+ 244.94515 150.7
[M-H]- 220.94865 140.1
[M+NH4]+ 239.98975 158.6
[M+K]+ 260.91909 138.6
[M+H-H2O]+ 204.95319 136.1
[M+HCOO]- 266.95413 152.8
[M+CH3COO]- 280.96978 184.4
[M+Na-2H]- 242.93060 142.7
[M]+ 221.95538 157.3
[M]- 221.95648 157.3
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

No patent data available for this compound.