CID 732508

3-(4-chlorophenyl)-5-(trifluoromethyl)-1h-pyrazole

Structural Information

Molecular Formula
C10H6ClF3N2
SMILES
C1=CC(=CC=C1C2=NNC(=C2)C(F)(F)F)Cl
InChI
InChI=1S/C10H6ClF3N2/c11-7-3-1-6(2-4-7)8-5-9(16-15-8)10(12,13)14/h1-5H,(H,15,16)
InChIKey
YEWZHKXOYAEAAS-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

246.01717 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.02445 146.2
[M+Na]+ 269.00639 157.3
[M-H]- 245.00989 145.5
[M+NH4]+ 264.05099 162.9
[M+K]+ 284.98033 150.6
[M+H-H2O]+ 229.01443 136.7
[M+HCOO]- 291.01537 159.0
[M+CH3COO]- 305.03102 186.6
[M+Na-2H]- 266.99184 150.3
[M]+ 246.01662 142.6
[M]- 246.01772 142.7
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