CID 21766261

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

Structural Information

Molecular Formula
C5H7BrN2
SMILES
CC1=CN(N=C1Br)C
InChI
InChI=1S/C5H7BrN2/c1-4-3-8(2)7-5(4)6/h3H,1-2H3
InChIKey
SEHRYTWQMFUOBZ-UHFFFAOYSA-N
Compound name
3-bromo-1,4-dimethylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
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 132.5
[M+Na]+ 196.96848 135.9
[M+NH4]+ 192.01308 137.4
[M+K]+ 212.94242 137.4
[M-H]- 172.97198 131.9
[M+Na-2H]- 194.95393 135.3
[M]+ 173.97871 131.5
[M]- 173.97981 131.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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