CID 64120426

4-bromo-1-(1-phenylethyl)-1h-pyrazole

Structural Information

Molecular Formula
C11H11BrN2
SMILES
CC(C1=CC=CC=C1)N2C=C(C=N2)Br
InChI
InChI=1S/C11H11BrN2/c1-9(10-5-3-2-4-6-10)14-8-11(12)7-13-14/h2-9H,1H3
InChIKey
LFCSPMPEKQNHCZ-UHFFFAOYSA-N
Compound name
4-bromo-1-(1-phenylethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

250.01056 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.01784 147.7
[M+Na]+ 272.99978 159.5
[M-H]- 249.00328 154.7
[M+NH4]+ 268.04438 167.8
[M+K]+ 288.97372 148.5
[M+H-H2O]+ 233.00782 146.6
[M+HCOO]- 295.00876 168.1
[M+CH3COO]- 309.02441 162.6
[M+Na-2H]- 270.98523 154.0
[M]+ 250.01001 166.2
[M]- 250.01111 166.2
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