CID 24229761

62546-27-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

250.01056 Da
Monoisotopic Mass

3.4
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.

Literature stripe

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Patent stripe

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