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

37
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 146.5
[M+Na]+ 272.99978 160.4
[M-H]- 249.00328 154.2
[M+NH4]+ 268.04438 167.3
[M+K]+ 288.97372 148.9
[M+H-H2O]+ 233.00782 145.7
[M+HCOO]- 295.00876 167.9
[M+CH3COO]- 309.02441 162.2
[M+Na-2H]- 270.98523 152.6
[M]+ 250.01001 166.3
[M]- 250.01111 166.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe