CID 1479052

5-chloro-1-phenyl-3-(trifluoromethyl)-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C11H6ClF3N2O
SMILES
C1=CC=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C=O)Cl
InChI
InChI=1S/C11H6ClF3N2O/c12-10-8(6-18)9(11(13,14)15)16-17(10)7-4-2-1-3-5-7/h1-6H
InChIKey
OPWVMJDFQNRXIG-UHFFFAOYSA-N
Compound name
5-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

274.0121 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.01938 157.8
[M+Na]+ 297.00132 168.8
[M+NH4]+ 292.04592 163.0
[M+K]+ 312.97526 164.5
[M-H]- 273.00482 155.2
[M+Na-2H]- 294.98677 163.0
[M]+ 274.01155 158.7
[M]- 274.01265 158.7
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