CID 4711796

1-(2-bromoethyl)-4-chloro-1h-pyrazole

Structural Information

Molecular Formula
C5H6BrClN2
SMILES
C1=C(C=NN1CCBr)Cl
InChI
InChI=1S/C5H6BrClN2/c6-1-2-9-4-5(7)3-8-9/h3-4H,1-2H2
InChIKey
JWVGNGVIZSRTHN-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-4-chloropyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

207.94029 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.947566 131.7
[M+Na]+ 230.929508 146.1
[M-H]- 206.933014 135.7
[M+NH4]+ 225.974113 154.6
[M+K]+ 246.903448 134.3
[M+H-H2O]+ 190.937550 131.8
[M+HCOO]- 252.938491 148.9
[M+CH3COO]- 266.954141 180.6
[M+Na-2H]- 228.914956 139.7
[M]+ 207.93974142 152.4
[M]- 207.94083858 152.4
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

patents stripe