CID 22392595

4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1-methyl-1h-pyrazole

Structural Information

Molecular Formula
C12H9Cl2F3N2O2
SMILES
CN1C(=C(C(=N1)C2=CC(=C(C=C2F)Cl)OC)Cl)OC(F)F
InChI
InChI=1S/C12H9Cl2F3N2O2/c1-19-11(21-12(16)17)9(14)10(18-19)5-3-8(20-2)6(13)4-7(5)15/h3-4,12H,1-2H3
InChIKey
ZKSGROKQOMSOPL-UHFFFAOYSA-N
Compound name
4-chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

3
Patents

339.99933 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.006606 163.4
[M+Na]+ 362.988548 176.8
[M-H]- 338.992054 164.3
[M+NH4]+ 358.033153 178.3
[M+K]+ 378.962488 170.6
[M+H-H2O]+ 322.996590 154.1
[M+HCOO]- 384.997531 173.0
[M+CH3COO]- 399.013181 209.2
[M+Na-2H]- 360.973996 161.8
[M]+ 339.99878142 168.0
[M]- 339.99987858 168.0
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

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