CID 21680102

3-bromo-4-methyl-1h-pyrazole

Structural Information

Molecular Formula
C4H5BrN2
SMILES
CC1=C(NN=C1)Br
InChI
InChI=1S/C4H5BrN2/c1-3-2-6-7-4(3)5/h2H,1H3,(H,6,7)
InChIKey
NIKFLRLLYKEJJK-UHFFFAOYSA-N
Compound name
5-bromo-4-methyl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

159.96361 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.97089 129.4
[M+Na]+ 182.95283 132.1
[M+NH4]+ 177.99743 134.1
[M+K]+ 198.92677 133.9
[M-H]- 158.95633 128.3
[M+Na-2H]- 180.93828 132.1
[M]+ 159.96306 128.1
[M]- 159.96416 128.1
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