CID 11000843

142623-48-1

Structural Information

Molecular Formula
C12H9ClF4N2
SMILES
CC1=CC(=C(C=C1Cl)F)C2=NN(C(=C2)C(F)(F)F)C
InChI
InChI=1S/C12H9ClF4N2/c1-6-3-7(9(14)4-8(6)13)10-5-11(12(15,16)17)19(2)18-10/h3-5H,1-2H3
InChIKey
YNQXHQDFBVIEDP-UHFFFAOYSA-N
Compound name
3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

292.03903 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.04631 157.4
[M+Na]+ 315.02825 170.9
[M-H]- 291.03175 157.6
[M+NH4]+ 310.07285 173.9
[M+K]+ 331.00219 164.2
[M+H-H2O]+ 275.03629 147.2
[M+HCOO]- 337.03723 170.0
[M+CH3COO]- 351.05288 201.5
[M+Na-2H]- 313.01370 158.3
[M]+ 292.03848 156.5
[M]- 292.03958 156.5
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