CID 91699

Triflumizole

Structural Information

Molecular Formula
C15H15ClF3N3O
SMILES
CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2
InChI
InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3
InChIKey
HSMVPDGQOIQYSR-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

39
References

36770
Patents

345.08557 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.092846 175.8
[M+Na]+ 368.074788 184.7
[M-H]- 344.078294 177.2
[M+NH4]+ 363.119393 189.5
[M+K]+ 384.048728 178.9
[M+H-H2O]+ 328.082830 164.4
[M+HCOO]- 390.083771 190.4
[M+CH3COO]- 404.099421 212.0
[M+Na-2H]- 366.060236 177.5
[M]+ 345.08502142 177.1
[M]- 345.08611858 177.1
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

patents stripe