CID 76937

4-bromo-3,5-dimethylpyrazole

Structural Information

Molecular Formula
C5H7BrN2
SMILES
CC1=C(C(=NN1)C)Br
InChI
InChI=1S/C5H7BrN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8)
InChIKey
RISOHYOEPYWKOB-UHFFFAOYSA-N
Compound name
4-bromo-3,5-dimethyl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

1713
Patents

173.97926 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.98654 133.5
[M+Na]+ 196.96848 136.4
[M+NH4]+ 192.01308 138.1
[M+K]+ 212.94242 138.1
[M-H]- 172.97198 132.4
[M+Na-2H]- 194.95393 135.7
[M]+ 173.97871 132.3
[M]- 173.97981 132.3
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