CID 15457339

Ipfencarbazone

Structural Information

Molecular Formula
C18H14Cl2F2N4O2
SMILES
CC(C)N(C1=C(C=C(C=C1)F)F)C(=O)N2C=NN(C2=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H14Cl2F2N4O2/c1-10(2)25(16-6-4-12(21)8-14(16)22)17(27)24-9-23-26(18(24)28)15-5-3-11(19)7-13(15)20/h3-10H,1-2H3
InChIKey
DHYXNIKICPUXJI-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8222
Patents

426.04617 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.05345 190.7
[M+Na]+ 449.03539 202.2
[M-H]- 425.03889 196.0
[M+NH4]+ 444.07999 200.4
[M+K]+ 465.00933 195.3
[M+H-H2O]+ 409.04343 179.1
[M+HCOO]- 471.04437 200.2
[M+CH3COO]- 485.06002 228.8
[M+Na-2H]- 447.02084 187.5
[M]+ 426.04562 195.6
[M]- 426.04672 195.6
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

patents stripe