CID 4575242

3,4-dibromo-5-methyl-1h-pyrazole

Structural Information

Molecular Formula
C4H4Br2N2
SMILES
CC1=C(C(=NN1)Br)Br
InChI
InChI=1S/C4H4Br2N2/c1-2-3(5)4(6)8-7-2/h1H3,(H,7,8)
InChIKey
HKWXBKMXJLNKLC-UHFFFAOYSA-N
Compound name
3,4-dibromo-5-methyl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

237.87411 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.881386 126.2
[M+Na]+ 260.863328 139.4
[M-H]- 236.866834 130.8
[M+NH4]+ 255.907933 146.7
[M+K]+ 276.837268 124.1
[M+H-H2O]+ 220.871370 134.6
[M+HCOO]- 282.872311 142.0
[M+CH3COO]- 296.887961 192.5
[M+Na-2H]- 258.848776 134.0
[M]+ 237.87356142 159.3
[M]- 237.87465858 159.3
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