CID 61029932

4-bromo-1-[(4-chlorophenyl)methyl]-1h-pyrazole

Structural Information

Molecular Formula
C10H8BrClN2
SMILES
C1=CC(=CC=C1CN2C=C(C=N2)Br)Cl
InChI
InChI=1S/C10H8BrClN2/c11-9-5-13-14(7-9)6-8-1-3-10(12)4-2-8/h1-5,7H,6H2
InChIKey
QPXQTEHJMLNIGU-UHFFFAOYSA-N
Compound name
4-bromo-1-[(4-chlorophenyl)methyl]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

269.95593 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.963206 147.9
[M+Na]+ 292.945148 162.1
[M-H]- 268.948654 155.0
[M+NH4]+ 287.989753 168.3
[M+K]+ 308.919088 149.1
[M+H-H2O]+ 252.953190 147.2
[M+HCOO]- 314.954131 165.0
[M+CH3COO]- 328.969781 163.2
[M+Na-2H]- 290.930596 154.7
[M]+ 269.95538142 168.6
[M]- 269.95647858 168.6
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