CID 75481751

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

Structural Information

Molecular Formula
C5H7BrN2
SMILES
C1=C(C=NN1)CCBr
InChI
InChI=1S/C5H7BrN2/c6-2-1-5-3-7-8-4-5/h3-4H,1-2H2,(H,7,8)
InChIKey
JYBYTUYNMSBOFY-UHFFFAOYSA-N
Compound name
4-(2-bromoethyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

173.97926 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.98654 134.4
[M+Na]+ 196.96848 136.6
[M+NH4]+ 192.01308 139.0
[M+K]+ 212.94242 138.0
[M-H]- 172.97198 133.2
[M+Na-2H]- 194.95393 137.0
[M]+ 173.97871 133.0
[M]- 173.97981 133.0
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