CID 642215

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

Structural Information

Molecular Formula
C5H7BrN2
SMILES
C1=CN(N=C1)CCBr
InChI
InChI=1S/C5H7BrN2/c6-2-5-8-4-1-3-7-8/h1,3-4H,2,5H2
InChIKey
PFSTUXCXMBDZRM-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

251
Patents

173.97926 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.98654 126.9
[M+Na]+ 196.96848 139.5
[M-H]- 172.97198 130.8
[M+NH4]+ 192.01308 150.0
[M+K]+ 212.94242 129.8
[M+H-H2O]+ 156.97652 126.5
[M+HCOO]- 218.97746 148.7
[M+CH3COO]- 232.99311 176.0
[M+Na-2H]- 194.95393 136.0
[M]+ 173.97871 145.8
[M]- 173.97981 145.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe