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]+ 270.96321 147.9
[M+Na]+ 292.94515 162.1
[M-H]- 268.94865 155.0
[M+NH4]+ 287.98975 168.3
[M+K]+ 308.91909 149.1
[M+H-H2O]+ 252.95319 147.2
[M+HCOO]- 314.95413 165.0
[M+CH3COO]- 328.96978 163.2
[M+Na-2H]- 290.93060 154.7
[M]+ 269.95538 168.6
[M]- 269.95648 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