CID 101126841

172853-79-1

Structural Information

Molecular Formula
C12H7Cl2F3N2O4
SMILES
C1=C(C(=CC(=C1OCC(=O)O)Cl)F)C2=C(C(=NN2)OC(F)F)Cl
InChI
InChI=1S/C12H7Cl2F3N2O4/c13-5-2-6(15)4(1-7(5)22-3-8(20)21)10-9(14)11(19-18-10)23-12(16)17/h1-2,12H,3H2,(H,18,19)(H,20,21)
InChIKey
WQDDDVPBHKTHAQ-UHFFFAOYSA-N
Compound name
2-[2-chloro-5-[4-chloro-3-(difluoromethoxy)-1H-pyrazol-5-yl]-4-fluorophenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

369.9735 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.980776 165.7
[M+Na]+ 392.962718 177.0
[M-H]- 368.966224 164.0
[M+NH4]+ 388.007323 177.5
[M+K]+ 408.936658 170.5
[M+H-H2O]+ 352.970760 157.0
[M+HCOO]- 414.971701 172.3
[M+CH3COO]- 428.987351 207.6
[M+Na-2H]- 390.948166 163.5
[M]+ 369.97295142 168.1
[M]- 369.97404858 168.1
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

No patent data available for this compound.