CID 10443564

1-(4-bromophenyl)-1h-pyrazole

Structural Information

Molecular Formula
C9H7BrN2
SMILES
C1=CN(N=C1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C9H7BrN2/c10-8-2-4-9(5-3-8)12-7-1-6-11-12/h1-7H
InChIKey
SQCVGDMTHFQUKS-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

184
Patents

221.97926 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.98654 142.7
[M+Na]+ 244.96848 147.6
[M+NH4]+ 240.01308 148.2
[M+K]+ 260.94242 147.9
[M-H]- 220.97198 144.4
[M+Na-2H]- 242.95393 148.6
[M]+ 221.97871 142.8
[M]- 221.97981 142.8
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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