CID 7039162

4-bromo-3,5-dimethyl-1-phenyl-1h-pyrazole

Structural Information

Molecular Formula
C11H11BrN2
SMILES
CC1=C(C(=NN1C2=CC=CC=C2)C)Br
InChI
InChI=1S/C11H11BrN2/c1-8-11(12)9(2)14(13-8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKey
GNXWITGSOFQXDG-UHFFFAOYSA-N
Compound name
4-bromo-3,5-dimethyl-1-phenylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
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References

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Patents

250.01056 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.01784 151.1
[M+Na]+ 272.99978 156.3
[M+NH4]+ 268.04438 156.2
[M+K]+ 288.97372 156.4
[M-H]- 249.00328 152.8
[M+Na-2H]- 270.98523 156.0
[M]+ 250.01001 151.2
[M]- 250.01111 151.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No patent data available for this compound.