CID 43328180

5-chloro-3-(propan-2-yl)-1-[3-(trifluoromethyl)phenyl]-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C14H12ClF3N2O
SMILES
CC(C)C1=NN(C(=C1C=O)Cl)C2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C14H12ClF3N2O/c1-8(2)12-11(7-21)13(15)20(19-12)10-5-3-4-9(6-10)14(16,17)18/h3-8H,1-2H3
InChIKey
BWDMGOCEMILONJ-UHFFFAOYSA-N
Compound name
5-chloro-3-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.05902 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.06630 171.1
[M+Na]+ 339.04824 181.5
[M+NH4]+ 334.09284 175.7
[M+K]+ 355.02218 177.4
[M-H]- 315.05174 168.3
[M+Na-2H]- 337.03369 175.0
[M]+ 316.05847 171.8
[M]- 316.05957 171.8
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

No patent data available for this compound.