CID 297290

1-phenyl-3-(trichloromethyl)pyrazole

Structural Information

Molecular Formula
C10H7Cl3N2
SMILES
C1=CC=C(C=C1)N2C=CC(=N2)C(Cl)(Cl)Cl
InChI
InChI=1S/C10H7Cl3N2/c11-10(12,13)9-6-7-15(14-9)8-4-2-1-3-5-8/h1-7H
InChIKey
PDEMFAXJHHSQET-UHFFFAOYSA-N
Compound name
1-phenyl-3-(trichloromethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

259.96747 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.97475 154.1
[M+Na]+ 282.95669 164.4
[M-H]- 258.96019 156.2
[M+NH4]+ 278.00129 170.9
[M+K]+ 298.93063 158.0
[M+H-H2O]+ 242.96473 146.8
[M+HCOO]- 304.96567 160.4
[M+CH3COO]- 318.98132 165.4
[M+Na-2H]- 280.94214 158.5
[M]+ 259.96692 155.9
[M]- 259.96802 155.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe