CID 6991945

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

Structural Information

Molecular Formula
C9H7BrN2
SMILES
C1=CC(=CC=C1C2=CNN=C2)Br
InChI
InChI=1S/C9H7BrN2/c10-9-3-1-7(2-4-9)8-5-11-12-6-8/h1-6H,(H,11,12)
InChIKey
GCAZXAMCMBEXCC-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
Patents

221.97926 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.986536 138.7
[M+Na]+ 244.968478 151.2
[M-H]- 220.971984 144.7
[M+NH4]+ 240.013083 159.3
[M+K]+ 260.942418 139.4
[M+H-H2O]+ 204.976520 138.1
[M+HCOO]- 266.977461 159.3
[M+CH3COO]- 280.993111 153.9
[M+Na-2H]- 242.953926 146.8
[M]+ 221.97871142 155.4
[M]- 221.97980858 155.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe