CID 19757100

5-bromo-1,4-dimethyl-1h-pyrazole

Structural Information

Molecular Formula
C5H7BrN2
SMILES
CC1=C(N(N=C1)C)Br
InChI
InChI=1S/C5H7BrN2/c1-4-3-7-8(2)5(4)6/h3H,1-2H3
InChIKey
UKCYRDDMLBDMPK-UHFFFAOYSA-N
Compound name
5-bromo-1,4-dimethylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
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 125.9
[M+Na]+ 196.96848 140.3
[M-H]- 172.97198 130.6
[M+NH4]+ 192.01308 149.6
[M+K]+ 212.94242 130.4
[M+H-H2O]+ 156.97652 126.0
[M+HCOO]- 218.97746 147.6
[M+CH3COO]- 232.99311 178.0
[M+Na-2H]- 194.95393 133.7
[M]+ 173.97871 145.5
[M]- 173.97981 145.5
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